AG00G70M

84228-45-5 | Benzoic acid, 4-amino-2-nitro-, methyl ester (9CI)

AG00G70M

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CAS Number	84228-45-5
Catalog Number	AG00G70M(AGN-PC-002D6Y)
Chemical Name	Benzoic acid, 4-amino-2-nitro-, methyl ester (9CI)
IUPAC Name	methyl 4-amino-2-nitrobenzoate
InChI	InChI=1S/C8H8N2O4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,9H2,1H3
InChI Key	CWNMNVHDDCDSPU-UHFFFAOYSA-N
MDL Number	MFCD00228651
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	C(=O)(OC)c1c(N(=O)=O)cc(cc1)N
Synonyms	methyl 4-amino-2-nitrobenzoate, 84228-45-5, Benzoic acid, 4-amino-2-nitro-, methyl ester, SCHEMBL616603, Benzoic acid, 4-amino-2-nitro-, methyl ester (9CI), Methyl 2-Nitro-4-aminobenzoate, DTXSID60563404, CWNMNVHDDCDSPU-UHFFFAOYSA-N, ALBB-024857, ZX-AN023371, CL9027, FCH922299, MFCD00228651, SBB017850, STK664055, ZINC15108786, AKOS003237962, MCULE-3224804522, AJ-67207, AK-78016, AS-46177, AB0087575, AX8220034, ST4144499, X-3645, C8H8N2O4,

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	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number