Basic information
- CAS
6136-30-7- Standard SMILES
Cc1ccc(C(=O)Oc2ccc(Cl)cc2C)cc1- InChIKey
KITGFCUWJOGQGA-UHFFFAOYSA-N- Molecular formula
- C15H13ClO2
- Average molar mass
- 260.71 g/mol
- Monoisotopic mass
- 260.0604073
Names & identifiers
- Preferred name
- 4-Chloro-2-methylphenyl 4-methylbenzoate
- IUPAC
- (4-chloro-2-methylphenyl) 4-methylbenzoate
Names & synonyms
4-chloro-2-methylphenyl 4-methylbenzoate6136-30-7(4-chloro-2-methylphenyl) 4-methylbenzoateDTXSID10976888AKOS002264862ST50189715
Database identifiers
- CAS
6136-30-7- PubChem CID
- 720781
- DTXSID
DTXSID10976888
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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