Cas no 631911-94-9 (Benzoic acid, 2-amino-3-methyl-5-nitro-, methyl ester (9CI))
631911-94-9 structure
Product Name:Benzoic acid, 2-amino-3-methyl-5-nitro-, methyl ester (9CI)
CAS No:631911-94-9
MF:C9H10N2O4
MW:210.186702251434
CID:1023016
PubChem ID:45089339
Update Time:2025-04-20
Benzoic acid, 2-amino-3-methyl-5-nitro-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-amino-3-methyl-5-nitro-, methyl ester (9CI)
- LVXLIYJRATZLAT-UHFFFAOYSA-N
- SCHEMBL4195883
- 631911-94-9
- Benzoic acid,2-amino-3-methyl-5-nitro-,methyl ester(9ci)
- 2-Amino-3-methyl-5-nitro-benzoic acid methyl ester
- Methyl 2-amino-3-methyl-5-nitrobenzoate
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- Inchi： 1S/C9H10N2O4/c1-5-3-6(11(13)14)4-7(8(5)10)9(12)15-2/h3-4H,10H2,1-2H3
- InChI Key： LVXLIYJRATZLAT-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC(=CC(C)=C1N)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 210.06405680g/mol
- Monoisotopic Mass: 210.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 98.1?2
Benzoic acid, 2-amino-3-methyl-5-nitro-, methyl ester (9CI) Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
631911-94-9 (Benzoic acid, 2-amino-3-methyl-5-nitro-, methyl ester (9CI)) Related Products
- 2702-58-1(Methyl 3,5-dinitrobenzoate)
- 5292-45-5(Dimethyl nitroterephthalate)
- 148625-35-8(methyl 3-formyl-4-nitro-benzoate)
- 57113-91-4(Methyl 2-amino-3-nitrobenzoate)
- 24078-21-5(Methyl 3-methyl-4-nitrobenzoate)
- 619-50-1(Methyl 4-nitrobenzoate)
- 1955-46-0(Methyl 5-Nitroisophthalate)
- 3816-62-4(Methyl 2-amino-5-nitrobenzoate)
- 618-95-1(Methyl 3-nitrobenzoate)
- 606-27-9(Methyl 2-nitrobenzoate)
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