AG003RN0

57113-89-0 | Methyl 2-amino-6-nitrobenzoate

AG003RN0

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CAS Number	57113-89-0
Catalog Number	AG003RN0(AGN-PC-0JTIF2)
Chemical Name	Methyl 2-amino-6-nitrobenzoate
IUPAC Name	methyl 2-amino-6-nitrobenzoate
InChI	InChI=1S/C8H8N2O4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,9H2,1H3
InChI Key	NFPMHGVGDWXWRJ-UHFFFAOYSA-N
MDL Number	MFCD01851258
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	COC(=O)C1=C(N)C=CC=C1[N+]([O-])=O
Synonyms	Methyl 2-amino-6-nitrobenzoate, 57113-89-0, NFPMHGVGDWXWRJ-UHFFFAOYSA-N, Benzoic acid, 2-amino-6-nitro-, methyl ester, Methyl2-Amino-6-nitrobenzoate, PubChem22890, AC1LC8WS, SCHEMBL1800859, CTK5A6302, KS-00000BCT, methyl 2-amino-6-nitro-benzoate, DTXSID80344393, Methyl 2-amino-6-nitrobenzoate #, ZINC5586657, 8381AB, ANW-57051, KM0070, MFCD01851258, AKOS006278765, AC-2924, TRA0072787, 2-amino-6-nitrobenzoic acid methylester, AJ-54352, AN-13449, AS-31511, SC-21664, SY003355, 2-Amino-6-nitro-benzoic acid methyl ester, 2-Amino-6-nitrobenzoic acid, methyl ester, TX-013428, FT-0690129, ST24030927, Benzoic acid,2-amino-6-nitro-, methyl ester, A23738, MFCD01851258 (97+%), I01-10070, C8H8N2O4, CID596477, Benzoicacid,2-amino-6-nitro-,methylester, CJ-12663,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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