AG0076VI

3987-92-6 | Methyl 4-amino-3-nitrobenzoate

AG0076VI

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CAS Number	3987-92-6
Catalog Number	AG0076VI(AGN-PC-0L2KH1)
Chemical Name	Methyl 4-amino-3-nitrobenzoate
IUPAC Name	methyl 4-amino-3-nitrobenzoate
InChI	InChI=1S/C8H8N2O4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,9H2,1H3
InChI Key	HNTLUEZVPLRQEV-UHFFFAOYSA-N
MDL Number	MFCD00017562
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	C(=O)(OC)c1cc(N(=O)=O)c(cc1)N
Synonyms	methyl 4-amino-3-nitrobenzoate, 3987-92-6, Methyl 4-amino-3-nitrobenzenecarboxylate, MFCD00017562, BENZOIC ACID, 4-AMINO-3-NITRO-, METHYL ESTER, 3-Nitro-4-aminobenzoic acid methyl ester, 4-Amino-3-nitro-benzoic acid methyl ester, 4-Amino-3-nitrobenzoicacidmethylester, AC1N0OBV, ACMC-209j8j, AC1Q42WA, KSC495Q5N, SCHEMBL2720856, methylaminonitrobenzenecarboxylate, 4-methoxycarbonyl-2-nitroaniline, CTK3J5856, KS-00000GLJ, DTXSID60398117, HNTLUEZVPLRQEV-UHFFFAOYSA-N, 4-(Methoxycarbonyl)-2-nitroaniline, ACT07410, ZINC5209909, ANW-29201, BBL104236, CL8559, SBB091966, STL558254, 4-AMINO-3-NITROMETHYLBENZOATE, AKOS003273124, AS02465, CS-W007745, MCULE-1990922135, METHYL 3-NITRO-4-AMINOBENZOATE, RP11539, RTC-063149, TRA0070965, 2-Amino-5-(methoxycarbonyl)nitrobenzene, 4-Amino-3-nitrobenzic acid methyl ester, AC-28512, AJ-53594, AK-32240, BR-32240, CJ-12519, SC-89647, SY031836, 4-Amino-3-nitrobenzoic acid methyl ester;, AB0030628, AB1005895, DB-007675, TC-063149, A6654, AM20060378, FT-0080199, FT-0635094, ST24031084, X2837, EN300-70721, MFCD00017562 (95%), C-5389, 10Y-0603, J-522299, I01-15733, Z53832978, C8H8N2O4, Methyl 4-amino-3-nitro-benzoate, Methyl-4-aMino-3-nitro benzene carboxylate, METHYL4-AMINO-3-NITROBENZOATE, AB01241, CID3941008,

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	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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