Basic information
- CAS
666213-79-2- Standard SMILES
Cc1ccc(C(C)C)cc1OC(=O)c1ccc(Cl)cc1- InChIKey
LDMBWBDQKPDYFW-UHFFFAOYSA-N- Molecular formula
- C17H17ClO2
- Average molar mass
- 288.8 g/mol
Names & identifiers
- Preferred name
- 5-Isopropyl-2-methylphenyl 4-chlorobenzoate
- IUPAC
- (2-methyl-5-propan-2-ylphenyl) 4-chlorobenzoate
- English name
- 5-isopropyl-2-methylphenyl 4-chlorobenzoate
- Molecular formula
- C17H17ClO2
- Molecular weight
- 288.77
Names & synonyms
5-isopropyl-2-methylphenyl 4-chlorobenzoate(2-methyl-5-propan-2-ylphenyl) 4-chlorobenzoateLDMBWBDQKPDYFW-UHFFFAOYSA-NAN-652/41418486Benzoic acid, 4-chloro-, 2-methyl-5-(1-methylethyl)phenyl ester
Database identifiers
- CAS
666213-79-2
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 429 · 429.0±45.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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