Benzenebutanoic acid, 3-chloro-4-(1,1-dimethylethyl)-
Basic information
- CAS
32808-63-2- Standard SMILES
CC(C)(C)c1ccc(CCCC(=O)O)cc1Cl- InChIKey
UYBQFSRGLVQUQX-UHFFFAOYSA-N- Molecular formula
- C14H19ClO2
- Average molar mass
- 254.75 g/mol
- Monoisotopic mass
- 254.1073575
Names & identifiers
- Preferred name
- Benzenebutanoic acid, 3-chloro-4-(1,1-dimethylethyl)-
- IUPAC
- 4-(4-tert-butyl-3-chlorophenyl)butanoic acid
- English name
- 4-(3-chloro-4-tert-butyl-phenyl)butanoic acid
- Molecular formula
- C14H19ClO2
- Molecular weight
- 254.75
Names & synonyms
CB 78832808-63-2Benzenebutanoic acid, 3-chloro-4-(1,1-dimethylethyl)-BRN 21151473-Chloro-4-(1,1-dimethylethyl)benzenebutanoic acidDTXSID30186482RefChem:324397DTXCID401089734-(4-tert-butyl-3-chlorophenyl)butanoic acid4-(3-CHLORO-4-TERT-BUTYL-PHENYL)BUTANOIC ACID
Database identifiers
- CAS
32808-63-2- PubChem CID
- 208679
- DTXSID
DTXSID30186482
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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