Synonyms
FT-0698072; 1,3-Cyclohexanedione,5-(4-bromophenyl)-; 239132-48-0; MFCD03844400; KS-00000EYX; RT-010077; DTXSID30592746; ZINC100100027; 5-(4-BROMO-PHENYL)-CYCLOHEXANE-1,3-DIONE; CS-D0084;
IUPAC Name
5-(4-bromophenyl)cyclohexane-1,3-dione;
Molecular Weight
267.122g/mol
Molecular Formula
C12H11BrO2;
Canonical SMILES
C1C(CC(=O)CC1=O)C2=CC=C(C=C2)Br;
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;
Complexity
251
Covalently-Bonded Unit Count
1
Exact Mass
265.994g/mol
H-Bond Acceptor
2
Heavy Atom Count
15
Monoisotopic Mass
265.994g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
34.1A^2
