Basic information
- CAS
7155-19-3- Standard SMILES
CC(C)(Cl)C(=O)Oc1ccc(C(C)(C)C)cc1Cl- InChIKey
LIJRLSPXDUFPHC-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2O2
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 288.0683852
Names & identifiers
- Preferred name
- 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate
- IUPAC
- (4-tert-butyl-2-chlorophenyl) 2-chloro-2-methylpropanoate
Names & synonyms
7155-19-34-tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoateNSC53883(4-tert-butyl-2-chlorophenyl)2-chloro-2-methylpropanoateDTXSID80919126NSC-5388392522-77-5
Database identifiers
- CAS
7155-19-3、92522-77-5- PubChem CID
- 243739
- DTXSID
DTXSID80919126
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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