AG0070G4

474709-71-2 | Ethyl 4-bromo-2-fluorobenzoate

AG0070G4

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CAS Number	474709-71-2
Catalog Number	AG0070G4(AGN-PC-03JDLK)
Chemical Name	Ethyl 4-bromo-2-fluorobenzoate
IUPAC Name	ethyl 4-bromo-2-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
InChI Key	MVDINIAYLXTBKB-UHFFFAOYSA-N
MDL Number	MFCD06204444
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	CCOC(=O)C1=C(F)C=C(Br)C=C1
Synonyms	Ethyl 4-bromo-2-fluorobenzoate, 474709-71-2, Benzoic acid, 4-bromo-2-fluoro-, ethyl ester, SCHEMBL719657, CTK8C4156, ethyl 4-bromo-2-fluoro-benzoate, KS-00000QNW, DTXSID20621812, MVDINIAYLXTBKB-UHFFFAOYSA-N, ANW-71146, MFCD06204444, ZINC35199105, AKOS009165558, CM12497, DS-4263, AJ-90777, AK104625, ST2406949, TC-159891, 4CH-017112, FT-0707353, Ethyl4-bromo-2-fluorobenzoate, 1,3-dibromo-5-fluoro-2-nitrobenzene, ACN-056567,

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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