AG002MK3

23218-93-1 | Benzoic acid, 3-amino-5-nitro-, methyl ester

AG002MK3

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CAS Number	23218-93-1
Catalog Number	AG002MK3(AGN-PC-0KKL45)
Chemical Name	Benzoic acid, 3-amino-5-nitro-, methyl ester
IUPAC Name	methyl 3-amino-5-nitrobenzoate
InChI	InChI=1S/C8H8N2O4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,9H2,1H3
InChI Key	HZVBRLJDOZZHFL-UHFFFAOYSA-N
MDL Number	MFCD00461253
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=CC(N)=C1
Synonyms	methyl 3-amino-5-nitrobenzoate, 23218-93-1, 3-Amino-5-nitrobenzoic acid methyl ester, Benzoic acid, 3-amino-5-nitro-, methyl ester, 3-amino-5-nitro-benzoic acid methyl ester, Benzoic acid,3-amino-5-nitro-, methyl ester, methyl 5-amino-3-nitrobenzoate, AC1MBTRC, 3-amino-5-nitro-methylbenzoate, SCHEMBL1997115, Methyl-5-amino-3-nitrobenzoate, CTK4F1120, DTXSID40373407, HZVBRLJDOZZHFL-UHFFFAOYSA-N, ZINC248689, 3-(Methoxycarbonyl)-5-nitroaniline, ALBB-024148, KS-00000NH7, BBL003297, MFCD00461253, SBB071854, STK895075, AKOS001600382, CM-2237, CS-W005262, DS-2810, MCULE-2288705066, MP-0057, 3-Amino-5-(methoxycarbonyl)nitrobenzene, AJ-18355, AK116847, CJ-02596, ZB009820, AB0031960, ST2419544, 4CH-003350, EU-0001593, FT-0693540, ST45027104, X5210, EN300-77886, SR-01000400440, J-015039, SR-01000400440-1, Z276142570, C8H8N2O4, ZINC00248689, CID2756518, 3-AMINO-5-NITROBENZOICACIDMETHYLESTER, 3-Amino-5-nitro-benzoic acid methyl ester, 98% - 10G 10g,

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	1.3

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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