AG002SPM

2632-14-6 | Ethanone, 2-bromo-1-(4-ethylphenyl)-

AG002SPM

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CAS Number	2632-14-6
Catalog Number	AG002SPM(AGN-PC-0O8EED)
Chemical Name	Ethanone, 2-bromo-1-(4-ethylphenyl)-
IUPAC Name	2-bromo-1-(4-ethylphenyl)ethanone
InChI	InChI=1S/C10H11BrO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6H,2,7H2,1H3
InChI Key	XNYSPDGJBPTDDI-UHFFFAOYSA-N
MDL Number	MFCD00981997
Molecular Formula	C10H11BrO
Molecular Weight	227.0977
SMILES	CCC1=CC=C(C=C1)C(=O)CBr
Synonyms	2-Bromo-1-(4-ethylphenyl)ethanone, 2632-14-6, 2-bromo-1-(4-ethylphenyl)ethan-1-one, Ethanone, 2-bromo-1-(4-ethylphenyl)-, 2-BROMO-1-(4-ETHYLPHENYL) ETHANONE, 4-Ethylphenacyl bromide, 2-bromo-4-ethylacetophenone, 2-bromo-4'-ethylacetophenone, SCHEMBL2776629, DTXSID80496523, XNYSPDGJBPTDDI-UHFFFAOYSA-N, KS-00000Q5H, 2323AB, MFCD00981997, SBB040681, STL299682, ZINC19843006, 2-Bromo-1-(4-ethylphenyl)-ethanone, AKOS000210262, CS-W006339, MCULE-4425453698, 1-bromo-2-(4-ethylphenyl)-2-oxoethane, AJ-75266, AK110622, AS-10144, DA-16651, SC-53618, 2-bromo-1 -(4-ethylphenyl)ethan-1 -one, ST2404176, 4CH-017507, FT-0702164, C10H11BrO,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.101g/mol
Monoisotopic Mass	225.999g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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