AG003Q3K

139911-28-7 | Ethyl 2-bromo-5-fluorobenzoate

AG003Q3K

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CAS Number	139911-28-7
Catalog Number	AG003Q3K(AGN-PC-003GNQ)
Chemical Name	Ethyl 2-bromo-5-fluorobenzoate
IUPAC Name	ethyl 2-bromo-5-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
InChI Key	ODFAIHQRCRQZGM-UHFFFAOYSA-N
MDL Number	MFCD06204688
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	CCOC(=O)C1=C(Br)C=CC(F)=C1
Synonyms	ETHYL 2-BROMO-5-FLUOROBENZOATE, 139911-28-7, Benzoic acid, 2-bromo-5-fluoro-, ethyl ester, Ethyl2-Bromo-5-fluorobenzoate, SCHEMBL1656936, CTK8C4158, DTXSID70567332, ODFAIHQRCRQZGM-UHFFFAOYSA-N, KS-00000BR4, 6803AA, ANW-71149, MFCD06204688, ZINC34440147, AKOS009147010, DS-4261, TRA0073468, AJ-88559, AK104622, CJ-18370, SY023646, TC-159894, CS-0041472, FT-0724806, Z-3470, MFCD06204688 (97+%), C9H8BrFO2, ACN-056569,

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

Lot Number