AG000BHO

1160574-62-8 | Benzoic acid, 3-bromo-4-chloro-5-fluoro-, methyl ester

AG000BHO

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CAS Number	1160574-62-8
Catalog Number	AG000BHO(AGN-PC-0WAN57)
Chemical Name	Benzoic acid, 3-bromo-4-chloro-5-fluoro-, methyl ester
IUPAC Name	methyl 3-bromo-4-chloro-5-fluorobenzoate
InChI	InChI=1S/C8H5BrClFO2/c1-13-8(12)4-2-5(9)7(10)6(11)3-4/h2-3H,1H3
InChI Key	XRJVAGJSNGAQKU-UHFFFAOYSA-N
MDL Number	MFCD11846086
Molecular Formula	C8H5BrClFO2
Molecular Weight	267.4795
SMILES	O=C(OC)C1=CC(F)=C(Cl)C(Br)=C1
Synonyms	Methyl 3-Bromo-4-chloro-5-fluorobenzoate, 1160574-62-8, AK139020, KS-00000RSI, DTXSID30679228, MFCD11846086, ZINC36532932, AKOS022174495, FCH1406220, AJ-93115, CS-13013, AX8260625, ST2407198, 4CH-017608, Benzoic acid, 3-bromo-4-chloro-5-fluoro-, methyl ester,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.915g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	267.478g/mol
Monoisotopic Mass	265.915g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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