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Home> Hot Product Listed T   > T6778223
845781-11-5 structure

T6778223

Iupac Name:(3,4-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CAS No.:845781-11-5
Molecular Weight:266.219
Molecular Formula:C12H18O3 (isomer)
Names and Identifiers
Synonyms

5-ethyl-n-{[1-(propan-2-yl)piperidin-3-yl]methyl}-1-(pyridin-2-yl)-1h-pyrazole-4-carboxamide MCULE-6132273719 MOLPORT-009-111-531 Z920799556

Inchi
InChI=1S/C14H9F3O2/c1-19-13-5-3-9(7-12(13)17)14(18)8-2-4-10(15)11(16)6-8/h2-7H,1H3
InChkey
SCVGMAXPCKQIJB-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F)F
Properties
Refractive Index
1.526
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36/37/39
Computational chemical data
  • Molecular Weight:266.219g/mol
  • Molecular Formula:C12H18O3
  • Compound Is Canonicalized:True
  • Exact Mass:266.055
  • Monoisotopic Mass:266.055
  • Complexity:324
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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