3-Butylbenzoyl chloride
Basic information
- CAS
54887-21-7- Standard SMILES
CCCCc1cccc(C(=O)Cl)c1- InChIKey
SRULOCHGUCGEBM-UHFFFAOYSA-N- Molecular formula
- C11H13ClO
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.0654927
Names & identifiers
- Preferred name
- 3-Butylbenzoyl chloride
- IUPAC
- 3-butylbenzoyl chloride
Names & synonyms
3-butylbenzoyl chloride54887-21-7Benzoyl chloride, 3-butyl-SCHEMBL8087128SRULOCHGUCGEBM-UHFFFAOYSA-NDTXSID701313693
Database identifiers
- CAS
54887-21-7- PubChem CID
- 20484239
- DTXSID
DTXSID701313693
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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