6-Bromo boldione

HCID 21292853
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Basic information

Standard SMILES
CC12C=CC(=O)C=C1C(Br)CC1C2CCC2(C)C(=O)CCC12
InChIKey
HLVXZPIZCYODAB-UHFFFAOYSA-N
Molecular formula
C19H23BrO2
Average molar mass
363.3 g/mol

Names & identifiers

Preferred name
6-Bromo boldione
IUPAC
6-bromo-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

Names & synonyms

6-Bromo boldioneUDA53487

Database identifiers

PubChem CID
21292853

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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