AG008M3M

81547-72-0 | 2-BROMO-1-(2,6-DICHLOROPHENYL)ETHANONE

AG008M3M

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CAS Number	81547-72-0
Catalog Number	AG008M3M(AGN-PC-0KKLDJ)
Chemical Name	2-BROMO-1-(2,6-DICHLOROPHENYL)ETHANONE
IUPAC Name	2-bromo-1-(2,6-dichlorophenyl)ethanone
InChI	InChI=1S/C8H5BrCl2O/c9-4-7(12)8-5(10)2-1-3-6(8)11/h1-3H,4H2
InChI Key	TWZKNPCXINHGGZ-UHFFFAOYSA-N
MDL Number	MFCD03425177
Molecular Formula	C8H5BrCl2O
Molecular Weight	267.9347
SMILES	ClC1=C(C(CBr)=O)C(Cl)=CC=C1
Synonyms	2-bromo-1-(2,6-dichlorophenyl)ethanone, 81547-72-0, 2-BROMO-2',6'-DICHLOROACETOPHENONE, 2-bromo-1-(2,6-dichlorophenyl)ethan-1-one, AC1MBUN7, KSC496Q4J, SCHEMBL169401, CTK3J6844, DTXSID20373627, TWZKNPCXINHGGZ-UHFFFAOYSA-N, ACT01134, KS-000011DX, ZINC2576083, ANW-46991, CL8629, MFCD03425177, 2-bromo-2',6'-dichloro-acetophenone, AKOS015996171, AM84069, GS-3823, AJ-42467, AK-80067, AN-36267, CJ-10089, AB0026839, DB-005191, RT-003307, 4CH-008613, A9995, FT-0081581, FT-0651187, ST24027792, W8588, X-3347, 547B720, C8H5BrCl2O, 2-BROMO-1- ETHANONE, ZINC02576083, CID2756908,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.89g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	267.931g/mol
Monoisotopic Mass	265.89g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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