AG002MQH

2327-45-9 | Benzoic acid, 5-methoxy-2-nitro-, methyl ester

AG002MQH

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CAS Number	2327-45-9
Catalog Number	AG002MQH(AGN-PC-0NK0N5)
Chemical Name	Benzoic acid, 5-methoxy-2-nitro-, methyl ester
IUPAC Name	methyl 5-methoxy-2-nitrobenzoate
InChI	InChI=1S/C9H9NO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5H,1-2H3
InChI Key	UAPJKEJWOPOJJY-UHFFFAOYSA-N
MDL Number	MFCD00662902
Molecular Formula	C9H9NO5
Molecular Weight	211.1715
SMILES	COC(=O)C1=C(C=CC(OC)=C1)[N+]([O-])=O
Synonyms	Methyl 5-methoxy-2-nitrobenzoate, 2327-45-9, Benzoic acid, 5-methoxy-2-nitro-, methyl ester, METHYL5-METHOXY-2-NITROBENZOATE, ACMC-209g2e, SCHEMBL268414, CTK4F1216, DTXSID60507944, UAPJKEJWOPOJJY-UHFFFAOYSA-N, KS-00000GM9, ZINC2567040, ANW-25092, MFCD00662902, AKOS015851697, AS01338, AC-28629, AJ-41346, AK-47193, DS-14226, 5-methoxy-2-nitrobenzoic acid methyl ester, TR-010846, 4CH-002482, 5-Methoxy-2-nitro-benzoic acid methyl ester, CS-0042968, TL80090106, V4552, B-8046, Benzoic acid,5-methoxy-2-nitro-, methyl ester, I01-11571, C9H9NO5,

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	1.7

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