5-Chloro-1-(propan-2-yl)-1H-indole

HCID 12995232

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Basic information

CAS: 820210-26-2
Standard SMILES: CC(C)n1ccc2cc(Cl)ccc21
InChIKey: PQVKEZPWKYMBDW-UHFFFAOYSA-N
Molecular formula: C11H12ClN
Average molar mass: 193.67 g/mol
Monoisotopic mass: 193.0658271

Names & identifiers

Preferred name: 5-Chloro-1-(propan-2-yl)-1H-indole
IUPAC: 5-chloro-1-propan-2-ylindole

Names & synonyms

820210-26-25-Chloro-1-isopropyl-1H-indole5-Chloro-1-(propan-2-yl)-1H-indole1H-Indole, 5-chloro-1-(1-methylethyl)-5-chloro-1-propan-2-ylindoleSCHEMBL598834DTXSID20514573HS-7754

Database identifiers

CAS: 820210-26-2
PubChem CID: 12995232
DTXSID: DTXSID20514573

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 181

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