4-tert-Butylphenyl chloroacetate
Basic information
- CAS
6291-99-2- Standard SMILES
CC(C)(C)c1ccc(OC(=O)CCl)cc1- InChIKey
PYLFASLKMVYXQY-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- 4-tert-Butylphenyl chloroacetate
- IUPAC
- (4-tert-butylphenyl) 2-chloroacetate
Names & synonyms
4-tert-butylphenyl chloroacetate6291-99-2DTXSID20278567RefChem:296446DTXCID10229725(4-tert-butylphenyl)2-chloroacetateNSC8240p-t-butylphenyl chloroacetateSCHEMBL13290630NSC-8240
Database identifiers
- CAS
6291-99-2- PubChem CID
- 222345
- DTXSID
DTXSID20278567
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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