AG00DDTY

51012-65-8 | 2'-Methylphenacyl bromide

AG00DDTY

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CAS Number	51012-65-8
Catalog Number	AG00DDTY(AGN-PC-0NIXOL)
Chemical Name	2'-Methylphenacyl bromide
IUPAC Name	2-bromo-1-(2-methylphenyl)ethanone
InChI	InChI=1S/C9H9BrO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,6H2,1H3
InChI Key	XMGAXELQRATLJP-UHFFFAOYSA-N
MDL Number	MFCD04038955
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	BrCC(=O)C1=C(C=CC=C1)C
Synonyms	2-bromo-1-(o-tolyl)ethanone, 51012-65-8, 2'-Methylphenacyl bromide, 2-bromo-1-(2-methylphenyl)ethan-1-one, 2-Bromo-1-o-tolylethanone, 2-bromo-1-(2-methylphenyl)ethanone, 2-Methylphenacyl bromide, 2-Bromo-2-methylacetophenone, 2-Bromo-1-o-tolyl-ethanone, 2-bromo-2'-methylacetophenone, MFCD04038955, Ethanone, 2-bromo-1-(methylphenyl)-, 2-(Bromoacetyl)toluene, o-Methylphenacyl bromide, 2-methyl phenacylbromide, AC1Q2ELT, 2-Methyl phenycyl Bromide, SCHEMBL168885, 2'-Methyl-2-bromoacetophenone, 2-bromo-2'-methyl acetophenone, CTK8B5193, Bromomethyl 2-methylphenyl ketone, DTXSID60497957, alpha-Bromo-2'-methylacetophenone, XMGAXELQRATLJP-UHFFFAOYSA-N, 2-bromo-1-(o-tolyl)ethan-1-one, KS-00000N4N, ZINC2525561, o-methyl-2-bromo-1-phenyl-ethanone, ANW-47916, BBL100047, SBB079230, STL511022, AKOS000210548, 2-bromanyl-1-(2-methylphenyl)ethanone, LS11319, MCULE-7496499647, VZ23886, Ethanone,2-bromo-1-(2-methylphenyl)-, Ethanone, 2-bromo-1-(2-methylphenyl)-, 1-bromo-2-(2-methylphenyl)-2-oxoethane, AJ-37459, AK-80318, AM808057, AS-18388, BR-80318, CJ-08839, SC-50759, SY031990, AB0025195, DB-071288, ST2416507, TC-136661, 4CH-015241, CS-0029521, FT-0648600, W6612, EN300-43734, MFCD04038955 (98%), S-5958, A828397, 2-Bromo-2 inverted exclamation mark -methylacetophenone, C9H9BrO, ACN-046599, B4750,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.074g/mol
Monoisotopic Mass	211.984g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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