AG006X6S

2415-93-2 | 1-(3-Bromophenyl)-2-methylpropan-1-one

AG006X6S

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CAS Number	2415-93-2
Catalog Number	AG006X6S(AGN-PC-02SXZO)
Chemical Name	1-(3-Bromophenyl)-2-methylpropan-1-one
IUPAC Name	1-(3-bromophenyl)-2-methylpropan-1-one
InChI	InChI=1S/C10H11BrO/c1-7(2)10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3
InChI Key	NHXAYTCRAVHZQZ-UHFFFAOYSA-N
MDL Number	MFCD08437145
Molecular Formula	C10H11BrO
Molecular Weight	227.0977
SMILES	CC(C)C(C1=CC=CC(Br)=C1)=O
Synonyms	1-(3-Bromophenyl)-2-methylpropan-1-one, 2415-93-2, 1-bromo-3-isobutyrylbenzene, 1-(3-Bromophenyl)-2-methyl propan-1-one, 1-(3-bromophenyl)-2-methylpropane-1-one, ACMC-1CQ63, SCHEMBL3125040, CTK4F3039, DTXSID00606743, NHXAYTCRAVHZQZ-UHFFFAOYSA-N, KS-00000LS8, ANW-25342, MFCD08437145, ZINC26896874, AKOS010015942, AM90077, DS-3400, AJ-83093, AK105989, 1-Propanone,1-(3-bromophenyl)-2-methyl-, ST2403143, TX-012766, 1-(3-Bromo-phenyl)-2-methyl-propan-1-one, 4CH-018495, V4617, B66034, C10H11BrO, 1- -2-METHYLPROPAN-1-ONE, na,

Complexity	165
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number