Basic information
- Standard SMILES
CC12CCC(=O)C=C1c1c(cc(OC3(C(=O)O)CCCC3)c(Cl)c1Cl)C2- InChIKey
OBZMSQZMEFETAS-UHFFFAOYSA-N- Molecular formula
- C20H20Cl2O4
- Average molar mass
- 395.3 g/mol
Names & identifiers
- Preferred name
- 1-[(5,6-dichloro-9a-methyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]cyclopentane-1-carboxylic acid
- IUPAC
- 1-[(3,4-dichloro-8a-methyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]cyclopentane-1-carboxylic acid
Names & synonyms
SCHEMBL11111743OBZMSQZMEFETAS-UHFFFAOYSA-N1-[(5,6-dichloro-9a-methyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]cyclopentane-1-carboxylic acid
Database identifiers
- PubChem CID
- 20520869
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 654
Related reactions
6 records
Compound notes
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