AG00ELMA

651341-68-3 | Benzoic acid, 2-bromo-4-fluoro-, ethyl ester

AG00ELMA

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CAS Number	651341-68-3
Catalog Number	AG00ELMA(AGN-PC-03IMW8)
Chemical Name	Benzoic acid, 2-bromo-4-fluoro-, ethyl ester
IUPAC Name	ethyl 2-bromo-4-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3
InChI Key	FYSROUWCKUYSAP-UHFFFAOYSA-N
MDL Number	MFCD06204924
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	C(=O)(OCC)c1c(Br)cc(cc1)F
Synonyms	ethyl 2-bromo-4-fluorobenzoate, 651341-68-3, Benzoic acid, 2-bromo-4-fluoro-, ethyl ester, SCHEMBL5777608, CTK1J8985, DTXSID30621161, FYSROUWCKUYSAP-UHFFFAOYSA-N, MFCD06204924, ZINC35189012, AKOS009147439, AS-9767, QC-7930, 2-Bromo-4-fluorobenzoic acid ethyl ester, AK660490, FT-0713953, Z283348920,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.063g/mol
Monoisotopic Mass	245.969g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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