AG00547S

773134-65-9 | Ethyl 2,3-difluorobenzoate

AG00547S

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CAS Number	773134-65-9
Catalog Number	AG00547S(AGN-PC-0KKOGO)
Chemical Name	Ethyl 2,3-difluorobenzoate
IUPAC Name	ethyl 2,3-difluorobenzoate
InChI	InChI=1S/C9H8F2O2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3
InChI Key	MBTGWZLPWWAHCU-UHFFFAOYSA-N
MDL Number	MFCD06204337
Molecular Formula	C9H8F2O2
Molecular Weight	186.1554
SMILES	O=C(OCC)C1=CC=CC(F)=C1F
Synonyms	ethyl 2,3-difluorobenzoate, 773134-65-9, benzoic acid, 2,3-difluoro-, ethyl ester, AC1MC4CK, ethyl-2,3 difluorobenzoate, SCHEMBL830006, CTK5E4251, DTXSID20375601, MBTGWZLPWWAHCU-UHFFFAOYSA-N, ZINC4290333, AKOS011956106, AS01255, FS-3982, AK501806, DB-075288, RT-022246, TL8005307, FT-0648051, ETHYL2,3-DIFLUOROBENZOATE, ZINC04290333, CID2761174,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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