(1S)-6-Chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
Basic information
- CAS
28968-09-4- Standard SMILES
O=C(O)[C@H]1CCc2cc(C3CCCCC3)c(Cl)cc21- InChIKey
OIRAEJWYWSAQNG-LBPRGKRZSA-N- Molecular formula
- C16H19ClO2
- Average molar mass
- 278.77 g/mol
- Monoisotopic mass
- 278.1073575
Names & identifiers
- Preferred name
- (1S)-6-Chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
- IUPAC
- (1S)-6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
- English name
- (1S)-6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
- Molecular formula
- C16H19ClO2
- Molecular weight
- 0
Names & synonyms
28968-09-4(1S)-6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acidRefChem:1049492(S)-(+)-ClidanacClidanac, (+)-d-TAI-284(S)-clidanac(1S)-(+)-6-Chloro-5-cyclohexylindan-1-carboxylic acid12PU8IR205BRN 2057663UNII-12PU8IR205(+)-6-Chloro-5-cyclohexylindan-1-carboxylic acid
Show more names
[S,(+)]-6-Chloro-5-cyclohexylindan-1-carboxylic acid[S,(+)]-6-Chloro-5-cyclohexylindane-1-carboxylic acid
1-Indancarboxylic acid, 6-chloro-5-cyclohexyl-, (+)-(+)-TAI-284(+)-CLIDANACCLIDANAC, (S)-DTXSID701031178CLIDANAC (S)-(+)-FORM [MI]Q272514281H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-, (1S)-
Database identifiers
- CAS
28968-09-4- PubChem CID
- 120109
- DTXSID
DTXSID701031178- UNII
- 12PU8IR205
- Nikkaji
- J21.273C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 12 PU8IR205 · 12PU8IR205
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…