Benzene, (1-chlorobutyl)
Basic information
- CAS
27059-40-1- Standard SMILES
CCCC(Cl)c1ccccc1- InChIKey
IUQZGPVNNUHJQT-UHFFFAOYSA-N- Molecular formula
- C10H13Cl
- Average molar mass
- 168.66 g/mol
- Monoisotopic mass
- 168.0705781
Names & identifiers
- Preferred name
- Benzene, (1-chlorobutyl)
- IUPAC
- 1-chlorobutylbenzene
Names & synonyms
Benzene, (1-chlorobutyl)(1-Chlorobutyl)benzenepropylbenzyl chloride1-phenylbutylchloride27059-40-1SCHEMBL2239367SCHEMBL2371653SCHEMBL4897348SCHEMBL18929946SCHEMBL19405559DTXSID001314371AKOS009235756
Database identifiers
- CAS
27059-40-1- PubChem CID
- 524322
- DTXSID
DTXSID001314371- Nikkaji
- J3.643.231D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95
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Related reactions
3 records
Compound notes
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