AG002ZNW

30314-45-5 | 1-(4-Bromophenyl)-2,2-dimethylpropan-1-one

AG002ZNW

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CAS Number	30314-45-5
Catalog Number	AG002ZNW(AGN-PC-0NKE6Y)
Chemical Name	1-(4-Bromophenyl)-2,2-dimethylpropan-1-one
IUPAC Name	1-(4-bromophenyl)-2,2-dimethylpropan-1-one
InChI	InChI=1S/C11H13BrO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChI Key	LFGBQDTUMQMUQJ-UHFFFAOYSA-N
MDL Number	MFCD03841175
Molecular Formula	C11H13BrO
Molecular Weight	241.1243
SMILES	CC(C)(C)C(C1=CC=C(Br)C=C1)=O
Synonyms	1-(4-BROMOPHENYL)-2,2-DIMETHYLPROPAN-1-ONE, 30314-45-5, 4'-Bromo-2,2-dimethylpropiophenone, 1-Propanone, 1-(4-bromophenyl)-2,2-dimethyl-, 1-Bromo-4-pivaloylbenzene, SCHEMBL3050432, CTK1C0476, KS-00000QXF, DTXSID70510484, LFGBQDTUMQMUQJ-UHFFFAOYSA-N, ZINC2514232, 3163AB, MFCD03841175, AKOS009339428, CS-W021229, DS-5249, NE31169, AJ-36931, AK111536, SC-40028, ST24037317, C11H13BrO, ACN-052831,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.128g/mol
Monoisotopic Mass	240.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number