Basic information
- CAS
103533-75-1- Standard SMILES
O=C(Cl)C1=CC=CC=CC1- InChIKey
LMIDPHPEMJHKJG-UHFFFAOYSA-N- Molecular formula
- C8H7ClO
- Average molar mass
- 154.59 g/mol
- Monoisotopic mass
- 154.0185425
Names & identifiers
- Preferred name
- Cyclohepta-1,3,5-triene-1-carbonyl chloride
- IUPAC
- cyclohepta-1,3,5-triene-1-carbonyl chloride
- English name
- 1,3,5-Cycloheptatriene-1-carbonyl chloride (9CI)
- Molecular formula
- C8H7ClO
- Molecular weight
- 154.59
Names & synonyms
103533-75-1Cyclohepta-1,3,5-triene-1-carbonyl chloride1,3,5-Cycloheptatriene-1-carbonyl chloride (9CI)DTXSID105451341,3,5-Cycloheptatriene-1-carbonyl chloride
Database identifiers
- CAS
103533-75-1- PubChem CID
- 13617554
- DTXSID
DTXSID10545134
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 247 · 247.0±10.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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