Basic information
- CAS
68266-57-9- Standard SMILES
O=C(O)C1CCc2cc(CC3CCCC3)c(Cl)cc21- InChIKey
SKYWJQHJFLDKCI-UHFFFAOYSA-N- Molecular formula
- C16H19ClO2
- Average molar mass
- 278.77 g/mol
- Monoisotopic mass
- 278.1073575
Overview
RN & structure given in first source; RN not in Chemline 4/84
Names & identifiers
- Preferred name
- 6-chloro-5-(cyclopentylmethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
- IUPAC
- 6-chloro-5-(cyclopentylmethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
- English name
- 6-chloro-5-(cyclopentylmethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
- Molecular formula
- C16H19ClO2
- Molecular weight
- 278.77386
Names & synonyms
68266-57-96-Chloro-5-(cyclopentylmethyl)-2,3-dihydro-1H-indene-1-carboxylic acid6-Chloro-5-(cyclopentylmethyl)indan-1-carboxylic acidDTXSID50987796RefChem:1044056-CCICDTXCID301414950269-528-9EINECS 269-528-9CHEMBL336953SCHEMBL10949419NS00060166
Show more names
6-chloro-5-cyclopentylmethyl-1-indanecarboxylic acid6-chloro-5-(cyclopentanylmethyl)-indan-1-carboxylic acid
Database identifiers
- CAS
68266-57-9- PubChem CID
- 129289
- DTXSID
DTXSID50987796- ChEMBL
CHEMBL336953- EC Number
- 269-528-9
- Nikkaji
- J289.122K
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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