AG002EP5

19064-14-3 | Benzoic acid, 2,6-difluoro-, ethyl ester

AG002EP5

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CAS Number	19064-14-3
Catalog Number	AG002EP5(AGN-PC-0JS8ZT)
Chemical Name	Benzoic acid, 2,6-difluoro-, ethyl ester
IUPAC Name	ethyl 2,6-difluorobenzoate
InChI	InChI=1S/C9H8F2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
InChI Key	FBQKPNPHWYPJFU-UHFFFAOYSA-N
MDL Number	MFCD06204338
Molecular Formula	C9H8F2O2
Molecular Weight	186.1554
SMILES	O=C(OCC)C1=C(F)C=CC=C1F
Synonyms	Ethyl 2,6-difluorobenzoate, 19064-14-3, Benzoic acid, 2,6-difluoro-, ethyl ester, FBQKPNPHWYPJFU-UHFFFAOYSA-N, 2,6-Difluorobenzoic acid, ethyl ester, 2,6-Difluorobenzoic acid,ethyl ester, AC1LASR5, Ethyl 2,?6-?Difluorobenzoate, Ethyl 2,6-difluorobenzoate #, SCHEMBL1996045, KS-00000SVF, 6423AD, MFCD06204338, ZINC21304762, ethyl-2,6-difluorobenzene-carboxylate, AKOS008947914, AK167205, SC-82081, SY043381, TS-02597, CS-0061555, FT-0762505, MFCD06204338 (95%), TL800742097, C9H8F2O2, CID519631,

Complexity	175
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	2.3

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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