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F2496-1626 structure
F2496-1626 structure

F2496-1626

Iupac Name:2-bromo-9-phenylfluoren-9-ol
CAS No.:736928-22-6
Molecular Weight:337.216
1. Names and Identifiers
1.1 Name
F2496-1626
1.2 Synonyms

(5-(benzo[d][1,3]dioxol-5-yl)isoxazol-3-yl)methyl 2-phenoxypropanoate AKOS024653078 MCULE-8096553512 MOLPORT-009-694-020

1.3 CAS No.
736928-22-6
1.4 CID
45382215
1.5 Molecular Formula
C13H14CLN3OS (isomer)
1.6 Inchi
InChI=1S/C19H13BrO/c20-14-10-11-16-15-8-4-5-9-17(15)19(21,18(16)12-14)13-6-2-1-3-7-13/h1-12,21H
1.7 InChkey
NJRNORJLPQYHHY-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)Br)O
1.9 Isomers Smiles
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)Br)O
2. Properties
3.1 Refractive Index
1.708
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight:337.216g/mol
  • Molecular Formula:C13H14CLN3OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.6
  • Exact Mass:336.01498
  • Monoisotopic Mass:336.01498
  • Complexity:378
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • 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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2-Bromo-9-phenyl-9H-fluoren-9-ol
  • Purity:99%Packing: 200kg/bag FOB
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2-Bromo-9-phenyl-9H-fluoren-9-ol
  • Purity:99%Packing: 200kg/bag FOB
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9H-Fluoren-9-ol,2-bromo-9-phenyl-
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2-Bromo-9-phenyl-9H-fluoren-9-ol
  • Purity:99%Packing: 200kg/bag FOB
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  • Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
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9H-Fluoren-9-ol, 2-bromo-9-phenyl-
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2018/11/21
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