Basic information
- CAS
16939-67-6- Standard SMILES
Cc1cccc(Cl)c(=O)c1- InChIKey
AMMHMEQVNCGLON-UHFFFAOYSA-N- Molecular formula
- C8H7ClO
- Average molar mass
- 154.59 g/mol
- Monoisotopic mass
- 154.0185425
Names & identifiers
- Preferred name
- 2-Chloro-6-methylcyclohepta-2,4,6-trien-1-one
- IUPAC
- 2-chloro-6-methylcyclohepta-2,4,6-trien-1-one
- English name
- 2,4,6-Cycloheptatrien-1-one, 2-chloro-6-methyl-
- Molecular formula
- C8H7ClO
- Molecular weight
- 154.59
Names & synonyms
2-Chloro-6-methylcyclohepta-2,4,6-trien-1-one16939-67-62,4,6-Cycloheptatrien-1-one, 2-chloro-6-methyl-2-chloro-6-methyl-cycloheptatrienone2,4,6-Cycloheptatrien-1-one, 2-chloro-6-methyl-
Database identifiers
- CAS
16939-67-6- PubChem CID
- 12538197
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…