Acrylophenone, 3-chloro-4'-methoxy-, (E)-
Basic information
- CAS
15724-87-5- Standard SMILES
COc1ccc(C(=O)/C=C/Cl)cc1- InChIKey
NTFFVFPCZOKKOT-VOTSOKGWSA-N- Molecular formula
- C10H9ClO2
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0291072
Names & identifiers
- Preferred name
- Acrylophenone, 3-chloro-4'-methoxy-, (E)-
- IUPAC
- (E)-3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
- English name
- (αE)-β-Chloro-4'-methoxyacrylophenone
- Molecular formula
- C10H9ClO2
- Molecular weight
- 196.63
Names & synonyms
15724-87-5ACRYLOPHENONE, 3-CHLORO-4'-METHOXY-, (E)-RefChem:1076131trans-3-Chloro-4'-methoxyacrylophenone3-Chloro-1-(4-methoxyphenyl)prop-2-en-1-one(E)-3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one(alphaE)-beta-Chloro-4'-methoxyacrylophenone(alphaE)-beta-Chloro-4/'-methoxyacrylophenonep-anisyl-beta-chlorovinylketoneSCHEMBL9224403(E)-β-Chloro-4'-methoxyacrylophenone(αE)-β-Chloro-4'-methoxyacrylophenone
Show more names
2-Propen-1-one, 3-chloro-1-(4-methoxyphenyl)-, (2E)-
Database identifiers
- CAS
15724-87-5- PubChem CID
- 6433653
- Nikkaji
- J73.344J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 292.869 · 292.869±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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