Basic information
- CAS
27366-52-5- Standard SMILES
O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)C(C1CCCC1)C2- InChIKey
INRKFTFXAPGJST-UHFFFAOYSA-N- Molecular formula
- C16H16Cl2O4
- Average molar mass
- 343.2 g/mol
- Monoisotopic mass
- 342.0425644
Names & identifiers
- Preferred name
- Acetic acid, 2-cyclopentyl-6,7-dichloro-1-oxo-5-indanyloxy-
- IUPAC
- 2-[(6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetic acid
- English name
- [(6,7-Dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acid
- Molecular formula
- C16H16Cl2O4
- Molecular weight
- 343.2
Names & synonyms
BRN 18916852-Cyclopentyl-6,7-dichloro-1-oxo-5-indanyloxyacetic acid27366-52-5ACETIC ACID, 2-CYCLOPENTYL-6,7-DICHLORO-1-OXO-5-INDANYLOXY-RefChem:316517CHEMBL404814SCHEMBL11112986DTXSID10950067[(6,7-Dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid[(6,7-Dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acidAcetic acid, 2-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]-
Database identifiers
- CAS
27366-52-5- PubChem CID
- 33796
- DTXSID
DTXSID10950067- ChEMBL
CHEMBL404814- Nikkaji
- J54.195H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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