Benzyl 3-chlorobenzoate
Basic information
- CAS
63987-52-0- Standard SMILES
O=C(OCc1ccccc1)c1cccc(Cl)c1- InChIKey
FKQRAQQDDUKITH-UHFFFAOYSA-N- Molecular formula
- C14H11ClO2
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0447573
Names & identifiers
- Preferred name
- Benzyl 3-chlorobenzoate
- IUPAC
- benzyl 3-chlorobenzoate
- English name
- Benzoic acid, 3-chloro-, phenylMethyl ester
- Molecular formula
- C14H11ClO2
- Molecular weight
- 246.69
Names & synonyms
Benzyl 3-chlorobenzoate63987-52-0DTXSID60335926RefChem:328461DTXCID40287015FKQRAQQDDUKITH-UHFFFAOYSA-N3-Chloro-benzoic acid benzyl esterbenzyl m-chlorobenzoateSCHEMBL6057083AKOS003496176Benzoic acid, 3-chloro, phenylmethyl esterPhenylmethyl 3-chlorobenzoate
Show more names
Benzoic acid, 3-chloro-, phenylMethyl ester
Database identifiers
- CAS
63987-52-0- PubChem CID
- 528022
- DTXSID
DTXSID60335926- Nikkaji
- J479.493A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
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Related reactions
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Compound notes
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