Basic information
- CAS
65786-14-3- Standard SMILES
O=C(C=Cc1ccc(Br)cc1)c1ccccc1O- InChIKey
RBCJPKVEKWAARH-UHFFFAOYSA-N- Molecular formula
- C15H11BrO2
- Average molar mass
- 303.15 g/mol
- Monoisotopic mass
- 301.99424
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(4-bromophenyl)-1-(2-hydroxyphenyl)-
- IUPAC
- 3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
- English name
- (E)-3-(4-Bromophenyl)-1-(2-hydroxyphenyl)- 2-propen-1-one
- Molecular formula
- C15H11BrO2
- Molecular weight
- 303.15
Names & synonyms
2-Propen-1-one, 3-(4-bromophenyl)-1-(2-hydroxyphenyl)-DTXSID70332800RefChem:266152DTXCID20283893SCHEMBL8093243SCHEMBL30807200(E)-3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one(2E)-3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one(E)-3-(4-Bromophenyl)-1-(2-hydroxyphenyl)- 2-propen-1-one2-Propen-1-one, 3-(4-bromophenyl)-1-(2-hydroxyphenyl)-, (2E)-
Database identifiers
- CAS
65786-14-3- PubChem CID
- 466337
- DTXSID
DTXSID70332800
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 138 · 138-139 °C(Solv: ethanol (64-17-5))
- Boiling point
- 446.3 · 446.3±45.0 °C(Predicted)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- pka
- 7.76 · 7.76±0.30(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
Chemistry & industry
Suppliers1 total
上海达立康医药科技有限公司18658316824 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…