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Basic information
- CAS
106105-17-3- Standard SMILES
CCCCC1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O- InChIKey
YAWWQIFONIPBKT-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2O4
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 398.1051646
Names & identifiers
- Preferred name
- ((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy)acetic acid, (+)-
- IUPAC
- 2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
- English name
- ((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy)acetic acid
- Molecular weight
- 0
Names & synonyms
RefChem:67092((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy)acetic acid, (+)-81166-47-4106105-17-3Dioa((2-n-Butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy)acetic acidDioa-aciddihydroindenyl-oxyalkanoic acid[(2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy]acetic acidDTXSID40909922YAWWQIFONIPBKT-UHFFFAOYSA-N2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
Show more names
[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl)oxy]acetic acidCHEMBL346777GTPL4589SCHEMBL11026309Q27077070(+)[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acid(-) [(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acid2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 534
Related reactions
3 records
Compound notes
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