AG000RQH

1261438-38-3 | Ethanone, 1-(2-bromo-6-chlorophenyl)-

AG000RQH

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CAS Number	1261438-38-3
Catalog Number	AG000RQH(AGN-PC-0WCYAT)
Chemical Name	Ethanone, 1-(2-bromo-6-chlorophenyl)-
IUPAC Name	1-(2-bromo-6-chlorophenyl)ethanone
InChI	InChI=1S/C8H6BrClO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChI Key	AFNSLBORZPEBRN-UHFFFAOYSA-N
MDL Number	MFCD18390298
Molecular Formula	C8H6BrClO
Molecular Weight	233.4896
SMILES	CC(C1=C(Cl)C=CC=C1Br)=O
Synonyms	1-(2-bromo-6-chlorophenyl)ethanone, 1261438-38-3, 2'-Bromo-6'-chloroacetophenone, SCHEMBL8262560, 2-acetyl-3-bromo-1-chlorobenzene, MFCD18390298, ZINC95931654, Ethanone, 1-(2-bromo-6-chlorophenyl)-, AS-46311,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.929g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.489g/mol
Monoisotopic Mass	231.929g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^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
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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