4-(5-Chloropentyl)benzoic acid
Basic information
- CAS
7377-05-1- Standard SMILES
O=C(O)c1ccc(CCCCCCl)cc1- InChIKey
YONFFQJILOKLFI-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- 4-(5-Chloropentyl)benzoic acid
- IUPAC
- 4-(5-chloropentyl)benzoic acid
Names & synonyms
7377-05-14-(5-chloropentyl)benzoic acidNSC211779SCHEMBL31213311DTXSID00309328NSC-211779
Database identifiers
- CAS
7377-05-1- PubChem CID
- 309491
- DTXSID
DTXSID00309328
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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