(4-Tert-butyl-2-chlorophenyl) butanoate
Basic information
- CAS
7476-87-1- Standard SMILES
CCCC(=O)Oc1ccc(C(C)(C)C)cc1Cl- InChIKey
QIJKNZRILUCVEM-UHFFFAOYSA-N- Molecular formula
- C14H19ClO2
- Average molar mass
- 254.75 g/mol
- Monoisotopic mass
- 254.1073575
Names & identifiers
- Preferred name
- (4-Tert-butyl-2-chlorophenyl) butanoate
- IUPAC
- (4-tert-butyl-2-chlorophenyl) butanoate
Names & synonyms
7476-87-1(4-tert-butyl-2-chlorophenyl) butanoateNSC404407(4-tert-butyl-2-chlorophenyl)butanoateDTXSID20323607NSC-4044074-TERT-BUTYL-2-CHLOROPHENYL BUTANOATE
Database identifiers
- CAS
7476-87-1- PubChem CID
- 346244
- DTXSID
DTXSID20323607
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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