Home> Encyclopedia > / Pharmaceutical Intermediates / Organic Intermediate

2-(4-Nitro-pyrazol-1-ylmethyl)-benzoic acid methyl ester structure

2-(4-Nitro-pyrazol-1-ylmethyl)-benzoic acid methyl ester structure

2-(4-Nitro-pyrazol-1-ylmethyl)-benzoic acid methyl ester

Iupac Name：2-quinoxalin-6-ylacetic acid

CAS No.：473932-16-0

Molecular Weight：188.185

Request For Quotation

1. Names and Identifiers

1.1 Name: 2-(4-Nitro-pyrazol-1-ylmethyl)-benzoic acid methyl ester
1.2 Synonyms: Benzoic acid, 2-[(4-nitro-1H-pyrazol-1-yl)methyl]-, methyl ester methyl 2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate

1.3 CAS No.: 473932-16-0

1.4 CID: 18436916

1.5 Molecular Formula: C₁₅H₁₈N₄O (isomer)

1.6 Inchi: InChI=1S/C10H8N2O2/c13-10(14)6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6H2,(H,13,14)

1.7 InChkey: NRRFVLPMUSJDJY-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC2=NC=CN=C2C=C1CC(=O)O

1.9 Isomers Smiles: C1=CC2=NC=CN=C2C=C1CC(=O)O

2. Properties

3.1 Precise Quality: 188.05900

3.1 PSA: 63.08000

3.1 logP: 1.25690

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：188.185g/mol
Molecular Formula：C_₁₅H_₁₈N_₄O
Compound Is Canonicalized：True
XLogP3-AA：0.7
Exact Mass：188.058577502
Monoisotopic Mass：188.058577502
Complexity：220
Rotatable Bond Count：2
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：63.1
Heavy Atom Count：14
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

Global10SuppliersView all >>

Nanjing Chemlin Chemical Co., Ltd. Diamond member

Diamond member

11YRS

Audited Suppliers

Manufacturer

Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
Tel:86-25-83697070
Email:sales@chemlin.com.cn

2-(quinoxalin-6-yl)-acetic acid

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2022/05/13

Inquire

Atomax Chemicals Co.,Ltd Audited Suppliers

Audited Suppliers

Manufacturer

Products:3-Fluoro-isonicotinic acid,Osmium tetroxide,Mafenide Hcl,3-Bromopentane,2-Phenylacetoacetonitrile,OSMIUM
Tel:86-755-33239182

2-(Quinoxalin-6-yl)acetic acid

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/07/29

Inquire

Shanghai Do Chemical Co.,Ltd Audited Suppliers

Audited Suppliers

Manufacturer

Products:API & API intermediates
Tel:86-21-33758180

2-quinoxalin-6-ylacetic acid

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2020/02/14

Inquire

Hangzhou Yierdechem Co. Ltd Audited Suppliers

Audited Suppliers

Products:Carbomer
Tel:+86-571-86904883

SH484

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2021/02/05

Inquire

Shengda Pharmaceutical Co., Limited

Tel:86-755-85269922

Quinoxaline-6-acetic acid/473932-16-0/99% purity in stock

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/metric ton
Time: 2022/03/31

Inquire

Directory

1. Names and Identifiers

1.5 Molecular Formula

1.8 Canonical Smiles

1.9 Isomers Smiles

2. Properties

3.1 Precise Quality

4.Synthesis Route

5.Computational chemical data

6.Recommended Suppliers