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1H-Benz[de]isoquinoline-1,6(2H)-dione,5- hydroxy-7-phenyl- structure
3D Mol Similar
1H-Benz[de]isoquinoline-1,6(2H)-dione,5- hydroxy-7-phenyl- structure

1H-Benz[de]isoquinoline-1,6(2H)-dione,5- hydroxy-7-phenyl-
Iupac Name：7-bromo-1H-indazole
CAS No.：53857-58-2
Molecular Weight：197.035
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1. Names and Identifiers
1.1 Name
1H-Benz[de]isoquinoline-1,6(2H)-dione,5- hydroxy-7-phenyl-
1.2 CAS No.
53857-58-2
1.3 CID
20323899
1.4 Molecular Formula
C12H19NO2 (isomer)
1.5 Inchi
InChI=1S/C7H5BrN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
1.6 InChkey
KMHHWCPTROQUFM-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC2=C(C(=C1)Br)NN=C2
1.8 Isomers Smiles
C1=CC2=C(C(=C1)Br)NN=C2
2. Properties
3.1 Melting point
123-125°
3.1 Refractive index
1.727
3.1 Precise Quality
195.96400
3.1 PSA
28.68000
3.1 logP
2.32540
3. Safety and Handling
4.1 Risk Statements
22
4.1 Hazard Class
IRRITANT
4.1 WGK Germany
3
4. Computational chemical data
  • Molecular Weight：197.035g/mol
  • Molecular Formula：C12H19NO2
  • Compound Is Canonicalized：True
  • XLogP3-AA：2.2
  • Exact Mass：195.96361
  • Monoisotopic Mass：195.96361
  • Complexity：129
  • Rotatable Bond Count：0
  • Hydrogen Bond Donor Count：1
  • Hydrogen Bond Acceptor Count：1
  • Topological Polar Surface Area：28.7
  • Heavy Atom Count：10
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
5. Recommended Suppliers
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Hangzhou Dayangchem Co., Ltd. 11YRS
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
7-Bromo-1H-indazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/kilogram
  • Time: 2022/04/28
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Nanjing Chemlin Chemical Co., Ltd. 11YRS
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
7-bromo-1H-indazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/13
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Shanghai Forever Synthesis Co.,Ltd.
  • Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
  • Tel:86-21-61124658
7-Bromo-1H-indazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0 USD/gram
  • Time: 2019/06/12
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Shanghai Do Chemical Co.,Ltd
  • Products:API & API intermediates
  • Tel:86-21-33758180
7-bromo-1H-indazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2020/02/14
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Struchem Co Ltd
  • Products:all kinds of fine chemicals, APIs, Bio-chemicals, from grams to kilograms, and larger scale. both with compounds in stock and custom synthesis.
  • Tel:86-512-63009836
1H-INDAZOLE,7-BROMO-
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2016/12/15
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1. Names and Identifiers
1.1 Name
1.2 CAS No.
1.3 CID
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
3.1 Melting point
3.1 Refractive index
3.1 Precise Quality
3.1 PSA
3.1 logP
3. Safety and Handling
4.1 Risk Statements
4.1 Hazard Class
4.1 WGK Germany
4.Synthesis Route
5.Computational chemical data
6.Recommended Suppliers
 
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