AG008ZAF

1130165-74-0 | 4-Bromo-3-Fluorobenzoic Acid Ethyl Ester

AG008ZAF

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CAS Number	1130165-74-0
Catalog Number	AG008ZAF(AGN-PC-0WAKPQ)
Chemical Name	4-Bromo-3-Fluorobenzoic Acid Ethyl Ester
IUPAC Name	ethyl 4-bromo-3-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
InChI Key	DDINDBNRZWUYBR-UHFFFAOYSA-N
MDL Number	MFCD09751983
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	O=C(OCC)C1=CC=C(Br)C(F)=C1
Synonyms	ETHYL 4-BROMO-3-FLUOROBENZOATE, 1130165-74-0, 4-BROMO-3-FLUOROBENZOIC ACID ETHYL ESTER, SCHEMBL664187, DTXSID70608471, DDINDBNRZWUYBR-UHFFFAOYSA-N, KS-00000RQ4, MFCD09751983, ZINC47202648, AKOS010973567, DS-5842, MB07616, QC-8788, AK137434, SC-39801, 4-Bromo-3-fluoro-benzoic acid ethyl ester, AB0097539, AJ-110674, CS-0041471, FT-0728215, Benzoic acid, 4-bromo-3-fluoro-, ethyl ester, Z-8246,

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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