Molecule ID: 322768

IUPAC Name: 2-bromo-2-[(4-methylphenyl)sulfonylmethyl]-3H-inden-1-one

Description: The molecule is a member of the class of indanones that is 1-indanone substituted at position 2 by bromo and [(4-methylphenyl)sulfonyl]methyl groups. It is a member of indanones, an alpha-bromoketone and a sulfone.

SMILES: Cc1ccc(S(=O)(=O)CC2(Br)Cc3ccccc3C2=O)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C17H15BrO3S/c1-12-6-8-14(9-7-12)22(20,21)11-17(18)10-13-4-2-3-5-15(13)16(17)19/h2-9H,10-11H2,1H3

Molecular Properties:
- Polar Surface Area: 59.6 Ų
- LogP: 3.7