AG002KTY

210530-71-5 | Benzeneacetic acid, 3,4-difluoro-, methyl ester

AG002KTY

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CAS Number	210530-71-5
Catalog Number	AG002KTY(AGN-PC-01RIEQ)
Chemical Name	Benzeneacetic acid, 3,4-difluoro-, methyl ester
IUPAC Name	methyl 2-(3,4-difluorophenyl)acetate
InChI	InChI=1S/C9H8F2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChI Key	WXOJCEHMQHERFQ-UHFFFAOYSA-N
MDL Number	MFCD04972824
Molecular Formula	C9H8F2O2
Molecular Weight	186.1554
SMILES	O=C(OC)CC1=CC=C(F)C(F)=C1
Synonyms	210530-71-5, 3,4-DIFLUOROPHENYLACETIC ACID METHYL ESTER, Methyl 2-(3,4-difluorophenyl)acetate, Methyl 3,4-Difluorophenylacetate, methyl (3,4-difluorophenyl)acetate, SCHEMBL1717077, CTK4E5759, DTXSID00592697, WXOJCEHMQHERFQ-UHFFFAOYSA-N, ZINC2540274, MFCD04972824, AKOS017518017, AJ-39047, AS-15877, DB-005261, FT-0643957, (3,4-Difluorophenyl)acetic acid methyl ester, methyl 2-[3,4-bis(fluoranyl)phenyl]ethanoate, M-2493, (3,4-difluoro-phenyl)-acetic acid methyl ester, 2-(3,4-difluorophenyl)acetic acid methyl ester, Benzeneacetic acid, 3,4-difluoro-, methyl ester, A815099, C9H8F2O2, R221,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.158g/mol
Monoisotopic Mass	186.049g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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