2-(4-Chlorophenyl)-3-phenylpropanoic acid
Basic information
- CAS
787-27-9- Standard SMILES
O=C(O)C(Cc1ccccc1)c1ccc(Cl)cc1- InChIKey
CUMMKZITYCLISM-UHFFFAOYSA-N- Molecular formula
- C15H13ClO2
- Average molar mass
- 260.71 g/mol
- Monoisotopic mass
- 260.0604073
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-3-phenylpropanoic acid
- IUPAC
- 2-(4-chlorophenyl)-3-phenylpropanoic acid
- English name
- 2-(4-Chloro-phenyl)-3-phenyl-propionic acid
- Molecular formula
- C15H13ClO2
- Molecular weight
- 260.72
Names & synonyms
2-(4-chlorophenyl)-3-phenylpropanoic acid787-27-9NSC11300MFCD00134660starbld0024470SCHEMBL605909DTXSID00279113AAA78727NSC82231NSC-11300NSC-82231AKOS015945910
Show more names
Benzenepropanoic acid, α-(4-chlorophenyl)-2-(4-Chloro-phenyl)-3-phenyl-propionic acid
NS-040352-(4-chlorophenyl)-3-phenyl-propanoic acidCS-0253605G50128EN300-6475358Z1322268599
Database identifiers
- CAS
787-27-9- PubChem CID
- 223565
- DTXSID
DTXSID00279113
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 115 · 115.0-116.5 °C
- Boiling point
- 374.8 · 374.8±27.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 4.07 · 4.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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