AG00DAE6

49660-93-7 | 1-(4-Bromophenyl)-2-methylpropan-1-one

AG00DAE6

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CAS Number	49660-93-7
Catalog Number	AG00DAE6(AGN-PC-003NAL)
Chemical Name	1-(4-Bromophenyl)-2-methylpropan-1-one
IUPAC Name	1-(4-bromophenyl)-2-methylpropan-1-one
InChI	InChI=1S/C10H11BrO/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChI Key	PMFLKZHWZXWOEH-UHFFFAOYSA-N
MDL Number	MFCD09891214
Molecular Formula	C10H11BrO
Molecular Weight	227.0977
SMILES	CC(C)C(C1=CC=C(Br)C=C1)=O
Synonyms	1-(4-Bromophenyl)-2-methylpropan-1-one, 49660-93-7, ACMC-209khc, SCHEMBL727222, CTK8B1748, DTXSID70567852, PMFLKZHWZXWOEH-UHFFFAOYSA-N, 4'-Bromo-alpha-methylpropiophenone, ANW-30814, MFCD09891214, ZINC11631530, 1-bromo-4-(2-methylpropanoyl)benzene, AKOS009164128, AM90103, 1-(4-Bromophenyl)-2-methyl-1-propanone, AJ-59917, AK106568, AS-17995, 1-(4-bromophenyl)-2-methyl-propan-1-one, TC-119559, 1-Propanone, 1-(4-bromophenyl)-2-methyl-, B5232, V6185, K-9224, I14-24841, C10H11BrO, ACN-046672,

Complexity	157
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	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number