5-Chloro-1-propyl-1H-indole
Basic information
- CAS
820210-24-0- Standard SMILES
CCCn1ccc2cc(Cl)ccc21- InChIKey
VSOKLEMRXYURCZ-UHFFFAOYSA-N- Molecular formula
- C11H12ClN
- Average molar mass
- 193.67 g/mol
- Monoisotopic mass
- 193.0658271
Names & identifiers
- Preferred name
- 5-Chloro-1-propyl-1H-indole
- IUPAC
- 5-chloro-1-propylindole
- English name
- 1H-Indole, 5-chloro-1-propyl-
- Molecular formula
- C11H12ClN
- Molecular weight
- 193.67
Names & synonyms
5-Chloro-1-propyl-1H-indole820210-24-0DTXSID60514572RefChem:302235DTXCID204653795-CHLORO-1-PROPYLINDOLESCHEMBL188569641H-Indole, 5-chloro-1-propyl-
Database identifiers
- CAS
820210-24-0- PubChem CID
- 12995231
- DTXSID
DTXSID60514572
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 305.3 · 305.3±15.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
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Compound notes
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