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Home> Hot Product Listed 2   > 2-(3'-fluoro-3-(trifluoromethyl)biphenyl-4-yl)acetonitrile
65973-73-1 structure

2-(3'-fluoro-3-(trifluoromethyl)biphenyl-4-yl)acetonitrile

Iupac Name:1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CAS No.:65973-73-1
Molecular Weight:256.225
Molecular Formula:C22H18N4O2 (isomer)
Names and Identifiers
Synonyms

AK274743 AKOS027299366

Inchi
InChI=1S/C11H8N6O2/c12-10-9-5-15-16(11(9)14-6-13-10)7-1-3-8(4-2-7)17(18)19/h1-6H,(H2,12,13,14)
InChkey
NFVAFEQWWNNKLX-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)N)[N+](=O)[O-]
Properties
Melting Point
>250°
Refractive Index
1.827
Safety and Handling
Risk Statements
22
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:256.225g/mol
  • Molecular Formula:C22H18N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:256.071
  • Monoisotopic Mass:256.071
  • Complexity:341
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • 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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