Basic information
- CAS
3300-67-2- Standard SMILES
O=C(C=Cc1ccccc1Cl)c1ccccc1- InChIKey
IGSYOTSSTZUGIA-UHFFFAOYSA-N- Molecular formula
- C15H11ClO
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.0498427
Names & identifiers
- Preferred name
- Chlorochalcone
- IUPAC
- 3-(2-chlorophenyl)-1-phenylprop-2-en-1-one
- English name
- Nsc636930
- Molecular formula
- C15H11ClO
- Molecular weight
- 242.7
Names & synonyms
chlorochalconeMLS002667767SCHEMBL4908405CHEMBL1720885SCHEMBL30477506IGSYOTSSTZUGIA-UHFFFAOYSA-NDTXSID301316633HMS3079N06AKOS017085623FC181368SMR001557526DB-046037
Show more names
Nsc636930Aids102794Aids-1027942-Propen-1-one, 3-(2-chlorophenyl)-1-phenyl-
3-(2-chlorophenyl)-1-phenyl-prop-2-en-1-one
Database identifiers
- CAS
3300-67-2- PubChem CID
- 97900
- DTXSID
DTXSID301316633- ChEMBL
CHEMBL1720885
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 345.7 °C · 345.7°C (rough estimate)
- Density
- 1.1255 · 1.1255 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- FDA UNII
- 8 ZFD79DH6F · 8ZFD79DH6F
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
1 records
Compound notes
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