Basic information
- CAS
61465-79-0- Standard SMILES
CC(C)c1c(Cl)ccc(Cl)c1Cl- InChIKey
JPDRTPSQRSZOFA-UHFFFAOYSA-N- Molecular formula
- C9H9Cl3
- Average molar mass
- 223.5 g/mol
- Monoisotopic mass
- 221.976983
Names & identifiers
- Preferred name
- 2,3,6-Trichlorocumene
- IUPAC
- 1,2,4-trichloro-3-propan-2-ylbenzene
Names & synonyms
2,3,6-TRICHLOROCUMENE61465-79-0SCHEMBL12985509SCHEMBL16952082SCHEMBL16952086DTXSID702104121,2,4-trichloro-3-(propan-2-yl)benzeneBenzene, 1,2,4-trichloro-3-(1-methylethyl)-
Database identifiers
- CAS
61465-79-0- PubChem CID
- 43665
- DTXSID
DTXSID70210412
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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