AG003K8Z

41263-74-5 | 4-(Methylamino)-3-Nitrobenzoic Acid

AG003K8Z

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CAS Number	41263-74-5
Catalog Number	AG003K8Z(AGN-PC-0JP6US)
Chemical Name	4-(Methylamino)-3-Nitrobenzoic Acid
EC Number	609-904-5
IUPAC Name	4-(methylamino)-3-nitrobenzoic acid
InChI	InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
InChI Key	KSMLIIWEQBYUKA-UHFFFAOYSA-N
MDL Number	MFCD00464322
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
NSC Number	138300
SMILES	O=C(O)C1=CC=C(NC)C([N+]([O-])=O)=C1
Synonyms	4-(methylamino)-3-nitrobenzoic acid, 41263-74-5, 4-Methylamino-3-nitrobenzoic acid, 4-Methylamino-3-nitro-benzoic acid, 4-(methylamino)-3-nitrobenzoicacid, Benzoic acid, 4-(methylamino)-3-nitro-, NSC138300, PubChem17378, AC1L5YPO, AC1Q1YPC, AC1Q40VD, KSC236M4D, SCHEMBL321911, BEN224, CHEMBL237731, CTK1D6641, KS-00000CMD, DTXSID20300675, 3-nitro-4-methylaminobenzoic acid, KSMLIIWEQBYUKA-UHFFFAOYSA-N, 4-Methylamino-3-nitro benzoic acid, ACN-S003813, BCP08906, ZINC3887891, AC-596, AN-746, ANW-29597, MFCD00464322, 4-(methylamino)-3-nitro-benzoic acid, AKOS000214826, AKOS015965483, CM12846, CS-W002629, DS-1047, LS10744, MCULE-9249468232, NSC-138300, RP04031, RTC-067597, TRA0157172, AJ-47278, AK-40000, AT-32678, BC686815, BP-30015, BR-40000, SC-44956, SY009730, AB0000490, DB-070164, ST2411017, TC-067597, 4CH-015700, AM20061057, BB 0218125, FT-0647367, M2423, W6172, EN300-09753, S-1234, MFCD00464322 (97+%), 263M745, AE-641/04642006, A1-00098, J-513766, C8H8N2O4, 4- -3-NITROBENZOICACID, 4-Aminomethyl-3-nitrobenzoic acid, AR-1F7088, CID283475, Ethyl1-Methylimidazole-4-carboxylate, ACN-025207, CB11791, Ethyl 1-methyl-1H-imidazole-4-carboxylate, A6854, EC 609-904-5, Dabigatran intermediate;Benzoic acid, 4-(methylamino)-3-nitro-, 41507-56-6,

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	2
Isotope Atom Count	0
Molecular Weight	196.162g/mol
Monoisotopic Mass	196.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	95.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

Lot Number