2-(4-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate
Basic information
- CAS
5415-90-7- Standard SMILES
Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cc2ccc(Cl)cc2)c1- InChIKey
LVGCBTBRDCHEPH-UHFFFAOYSA-N- Molecular formula
- C21H16Cl2O2
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 370.0527351
Names & identifiers
- Preferred name
- 2-(4-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate
- IUPAC
- [2-[(4-chlorophenyl)methyl]-4-methylphenyl] 4-chlorobenzoate
Names & synonyms
2-(4-chlorobenzyl)-4-methylphenyl 4-chlorobenzoate5415-90-7NSC11315DTXSID90279122NSC-113152-[(4-CHLOROPHENYL)METHYL]-4-METHYLPHENYL 4-CHLOROBENZOATE
Database identifiers
- CAS
5415-90-7- PubChem CID
- 223576
- DTXSID
DTXSID90279122
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
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Compound notes
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