AG00236L

181871-73-8 | Benzoic acid, 4-methoxy-2-nitro-, methyl ester

AG00236L

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CAS Number	181871-73-8
Catalog Number	AG00236L(AGN-PC-01LMCQ)
Chemical Name	Benzoic acid, 4-methoxy-2-nitro-, methyl ester
IUPAC Name	methyl 4-methoxy-2-nitrobenzoate
InChI	InChI=1S/C9H9NO5/c1-14-6-3-4-7(9(11)15-2)8(5-6)10(12)13/h3-5H,1-2H3
InChI Key	APKDQNMBIHKQSF-UHFFFAOYSA-N
MDL Number	MFCD06658482
Molecular Formula	C9H9NO5
Molecular Weight	211.1715
SMILES	O=C(OC)C1=CC=C(OC)C=C1[N+]([O-])=O
Synonyms	Methyl 4-methoxy-2-nitrobenzoate, 181871-73-8, 4-Methoxy-2-nitro-benzoic acid methyl ester, Benzoic acid, 4-methoxy-2-nitro-, methyl ester, 4-Methoxy-2-nitrobenzoic acid methyl ester, Benzoic acid,4-methoxy-2-nitro-, methyl ester, PubChem16032, ACMC-1BZQO, SCHEMBL1571262, CTK4D7999, DTXSID70589913, APKDQNMBIHKQSF-UHFFFAOYSA-N, 9528AA, AB1524, ANW-23079, MFCD06658482, ZINC20247707, AKOS000300014, KS-00000K11, AJ-76633, AK-94032, DS-17900, DB-065376, ST2419589, TL8001456, TR-008365, BB 0244804, CS-0042889, FT-0702988, B-3602, I01-11569, C9H9NO5, METHYL4-METHOXY-2-NITROBENZOATE,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.048g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.173g/mol
Monoisotopic Mass	211.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number