Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 3   > 3-(2-fluorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
1682-44-6 structure

3-(2-fluorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

Iupac Name:3-(2-fluorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CAS No.:1682-44-6
Molecular Weight:242.249
Molecular Formula:C15H11FO2 (isomer)
Names and Identifiers
Synonyms

2-propen-1-one, 3-(2-fluorophenyl)-1-(2-hydroxyphenyl)- AC1MO3XX MCULE-7573095760

Inchi
InChI=1S/C15H11FO2/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,17H
InChkey
CTLIGLJKORYDHV-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2O)F
Properties
Density
1.258
Boiling Point
394.8°C at 760 mmHg
Vapour
8.5E-07mmHg at 25°C
Refractive Index
1.635
Flash Point
192.5°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:242.249g/mol
  • Molecular Formula:C15H11FO2
  • Compound Is Canonicalized:True
  • Exact Mass:242.074
  • Monoisotopic Mass:242.074
  • Complexity:314
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
<