AG0078N2

111841-05-5 | 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone

AG0078N2

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CAS Number	111841-05-5
Catalog Number	AG0078N2(AGN-PC-0KAXLW)
Chemical Name	2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone
IUPAC Name	2-bromo-1-(5-chloro-2-methoxyphenyl)ethanone
InChI	InChI=1S/C9H8BrClO2/c1-13-9-3-2-6(11)4-7(9)8(12)5-10/h2-4H,5H2,1H3
InChI Key	LKMDYDGPEROASV-UHFFFAOYSA-N
MDL Number	MFCD01793848
Molecular Formula	C9H8BrClO2
Molecular Weight	263.5156
SMILES	COC1=CC=C(Cl)C=C1C(CBr)=O
Synonyms	2-bromo-1-(5-chloro-2-methoxyphenyl)ethanone, 111841-05-5, 2-Bromo-1-(5-chloro-2-methoxy-phenyl)-ethanone, Ethanone,2-bromo-1-(5-chloro-2-methoxyphenyl)-, ACMC-20c3p0, SCHEMBL2308262, CTK4A7545, DTXSID20365805, LKMDYDGPEROASV-UHFFFAOYSA-N, AC1M0316, ZINC2383681, 2110AA, MFCD01793848, AKOS015851712, AJ-34962, AK-55902, DS-14919, SC-12457, TC-063756, 2-bromo-1-(5-chloro-2-methoxyphenyl)-ethanone, 2-bromo-1-(5-chloro-2-methoxyphenyl)ethan-1-one, C9H8BrClO2, ZINC02383681, CID1989188,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.515g/mol
Monoisotopic Mass	261.94g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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