AG005S25

99512-09-1 | Methyl 3-amino-4-nitrobenzoate

AG005S25

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CAS Number	99512-09-1
Catalog Number	AG005S25(AGN-PC-0NL42G)
Chemical Name	Methyl 3-amino-4-nitrobenzoate
IUPAC Name	methyl 3-amino-4-nitrobenzoate
InChI	InChI=1S/C8H8N2O4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,9H2,1H3
InChI Key	ZGVYPBINPLNBDH-UHFFFAOYSA-N
MDL Number	MFCD00017008
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	O=C(OC)C1=CC=C([N+]([O-])=O)C(N)=C1
Synonyms	Methyl 3-Amino-4-nitrobenzoate, 99512-09-1, Methyl3-amino-4-nitrobenzoate, Benzoic acid, 3-amino-4-nitro-, methyl ester, methylaminonitrobenzoate, ACMC-20efb9, SCHEMBL1291038, CTK3G7456, DTXSID00579185, ZGVYPBINPLNBDH-UHFFFAOYSA-N, 5-(Methoxycarbonyl)-2-nitroaniline, KS-00000QQ4, 4702AF, MFCD00017008, ZINC34759534, AKOS006281039, BF-0766, CM12434, MCULE-4904171466, RP11540, 2-Amino-4-(methoxycarbonyl)nitrobenzene, AK311106, TR-030451, 4CH-003992, FT-0682952, J-522140, I01-15754, METHYL 3-AMINO-4-NITROBENZOATE 95+% - NEW PRODUCT, C8H8N2O4, Benzoicacid,3-amino-4-nitro-,methylester, Benzoic acid, 3-amino-4-nitro-, methyl ester (9CI),

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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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