AG00ETS7

612835-53-7 | Ethyl 5-bromo-2-fluorobenzoate

AG00ETS7

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CAS Number	612835-53-7
Catalog Number	AG00ETS7(AGN-PC-035Z9V)
Chemical Name	Ethyl 5-bromo-2-fluorobenzoate
IUPAC Name	ethyl 5-bromo-2-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
InChI Key	WYTDYNDPAJSCTK-UHFFFAOYSA-N
MDL Number	MFCD06204416
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	O=C(OCC)C1=CC(Br)=CC=C1F
Synonyms	ETHYL 5-BROMO-2-FLUOROBENZOATE, 612835-53-7, SCHEMBL961701, KS-00000RQR, DTXSID50610850, WYTDYNDPAJSCTK-UHFFFAOYSA-N, MFCD06204416, ZINC35189192, AKOS009165772, DS-5946, ETHYL-5-BROMO-2-FLUOROBENZOATE, NE18110, 2-Fluoro-5-bromobenzoic acid ethyl ester, 3-bromo-6-fluorobenzoic acid ethyl ester, AJ-90769, AK138049, SC-39974, CS-0041473, FT-0713806, Benzoic acid, 5-bromo-2-fluoro-, ethyl ester,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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