AG00CLCB

3558-19-8 | 2-Amino-4-nitrobenzoic acid methyl ester

AG00CLCB

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CAS Number	3558-19-8
Catalog Number	AG00CLCB(AGN-PC-0JTIF1)
Chemical Name	2-Amino-4-nitrobenzoic acid methyl ester
IUPAC Name	methyl 2-amino-4-nitrobenzoate
InChI	InChI=1S/C8H8N2O4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,9H2,1H3
InChI Key	VGURYVWLCVIMTF-UHFFFAOYSA-N
MDL Number	MFCD00089419
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	O=C(OC)C1=CC=C([N+]([O-])=O)C=C1N
Synonyms	Methyl 2-amino-4-nitrobenzoate, 3558-19-8, 2-Amino-4-nitro-benzoic acid methyl ester, Benzoic acid, 2-amino-4-nitro-, methyl ester, 2-amino-4-nitrobenzoic acid methyl ester, VGURYVWLCVIMTF-UHFFFAOYSA-N, Anthranilic acid, 4-nitro-, methyl ester, AC1LC8WQ, methyl 4-nitroanthranilate, 2-AMINO-4-NITROBENZ, SCHEMBL2722200, CTK8I3861, methyl 2-amino-4-nitro-benzoate, ZINC54303, DTXSID20344392, ALBB-023160, 4-nitroanthranilic acid methyl ester, MFCD00089419, SBB071567, STK767175, 4-nitro-anthranilic acid methyl ester, AKOS003605506, Anthranilic acid,4-nitro-,methyl ester, MCULE-9583333838, AJ-09188, SC-37490, AB0038804, ST4069894, R2051, Y6196, A2732/0116019, C8H8N2O4, CID596476, ZINC00054303, 2-Amino-4-nitrobenzoicacidmethylester,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.048g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.162g/mol
Monoisotopic Mass	196.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	98.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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