Basic information
- Standard SMILES
CC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2- InChIKey
NSIHJHKGPIZNOK-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2O4
- Average molar mass
- 341.2 g/mol
- Monoisotopic mass
- 340.0269143
Names & identifiers
- Preferred name
- [(5,6-dichloro-9a-methyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetic acid
- IUPAC
- 2-[(3,4-dichloro-8a-methyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetic acid
Names & synonyms
CHEMBL355545SCHEMBL11108258NSIHJHKGPIZNOK-UHFFFAOYSA-N[(5,6-dichloro-9a-methyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetic acid
Database identifiers
- PubChem CID
- 13613342
- ChEMBL
CHEMBL355545
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 532
Related reactions
3 records
Compound notes
Loading…