AG002XYL

2928-14-5 | Benzenepropanoic acid, 4-fluoro-, methyl ester

AG002XYL

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CAS Number	2928-14-5
Catalog Number	AG002XYL(AGN-PC-03VTZO)
Chemical Name	Benzenepropanoic acid, 4-fluoro-, methyl ester
IUPAC Name	methyl 3-(4-fluorophenyl)propanoate
InChI	InChI=1S/C10H11FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
InChI Key	XCRXMWBQKYTDFI-UHFFFAOYSA-N
MDL Number	MFCD12031748
Molecular Formula	C10H11FO2
Molecular Weight	182.1915
SMILES	FC1=CC=C(C=C1)CCC(=O)OC
Synonyms	METHYL 3-(4-FLUOROPHENYL)PROPANOATE, 2928-14-5, Benzenepropanoic acid, 4-fluoro-, methyl ester, 3-(4-Fluorophenyl)propionic acid,methyl ester, ACMC-209h84, SCHEMBL2723440, CHEMBL2252082, CTK4G3066, DTXSID40628843, XCRXMWBQKYTDFI-UHFFFAOYSA-N, methyl 3-(4-fluorophenyl)propionate, ANW-26594, MFCD12031748, ZINC15014944, AKOS000349099, 4-Fluorohydrocinnamic acid methyl ester, AJ-66735, CJ-14922, SC-53419, TR-036384, V4964, K-7156, I14-25439, C10H11FO2, Methyl3-(4-fluorophenyl)propanoate,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.194g/mol
Monoisotopic Mass	182.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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