AG00083P

10268-12-9 | Methyl 3-Nitrophenylacetate

AG00083P

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CAS Number	10268-12-9
Catalog Number	AG00083P(AGN-PC-0JSD8F)
Chemical Name	Methyl 3-Nitrophenylacetate
IUPAC Name	methyl 2-(3-nitrophenyl)acetate
InChI	InChI=1S/C9H9NO4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5H,6H2,1H3
InChI Key	BFGYITRIATVARH-UHFFFAOYSA-N
MDL Number	MFCD08669939
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	COC(=O)CC1=CC(=CC=C1)[N+]([O-])=O
Synonyms	METHYL 3-NITROPHENYLACETATE, 10268-12-9, methyl 2-(3-nitrophenyl)acetate, Methyl (3-nitrophenyl)acetate, (3-NITROPHENYL)ACETIC ACID METHYL ESTER, 3-Nitrophenylacetic acid methyl ester, Benzeneacetic acid, 3-nitro-, methyl ester, BFGYITRIATVARH-UHFFFAOYSA-N, PubChem18858, AC1LB1KK, Methyl3-Nitrophenylacetate, methyl(3-nitrophenyl)acetate, SCHEMBL520733, CTK8C4405, DTXSID70335755, KS-00000BH1, ANW-71790, MFCD08669939, ZINC32164776, AKOS002392910, AS01240, TRA0037633, AJ-84846, AS-18842, CJ-17899, SC-96047, SY008008, (3-nitro-phenyl)-acetic acid methyl ester, AB0030642, DB-058837, TC-160535, 4CH-021878, CS-0037328, FT-0717418, M2522, ST24047614, X2851, Z-4032, MFCD08669939 (97+%), C9H9NO4, CID526967,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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