AG007OFW

239132-48-0 | 5-(4-BROMO-PHENYL)-CYCLOHEXANE-1,3-DIONE

AG007OFW

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CAS Number	239132-48-0
Catalog Number	AG007OFW(AGN-PC-01U92F)
Chemical Name	5-(4-BROMO-PHENYL)-CYCLOHEXANE-1,3-DIONE
IUPAC Name	5-(4-bromophenyl)cyclohexane-1,3-dione
InChI	InChI=1S/C12H11BrO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
InChI Key	GQCQFGJLUYXUAG-UHFFFAOYSA-N
MDL Number	MFCD03844400
Molecular Formula	C12H11BrO2
Molecular Weight	267.1185
SMILES	O=C1CC(CC(C2=CC=C(Br)C=C2)C1)=O
Synonyms	5-(4-Bromophenyl)cyclohexane-1,3-dione, 239132-48-0, 5-(4-BROMO-PHENYL)-CYCLOHEXANE-1,3-DIONE, SCHEMBL7688021, CTK4F2562, KS-00000EYX, DTXSID30592746, GQCQFGJLUYXUAG-UHFFFAOYSA-N, CS-D0084, 8079AD, MFCD03844400, SBB054230, AKOS015996617, ZINC100100027, AK142941, 1,3-Cyclohexanedione,5-(4-bromophenyl)-, 5-(4-Bromo-phenyl)cyclohexane-1,3-dione, RT-010077, FT-0698072, ST24044198, C12H11BrO2, 5-(4-bromophenyl)-1,3-Cyclohexanedione,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.994g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	267.122g/mol
Monoisotopic Mass	265.994g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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