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Home> Hot Product Listed P   > Phenol,4-bromo-2-[[[3-(trifluoromethyl)phenyl]imino]methyl]-
54231-35-5 structure

Phenol,4-bromo-2-[[[3-(trifluoromethyl)phenyl]imino]methyl]-

Iupac Name:3-fluoro-2-nitropyridine
CAS No.:54231-35-5
Molecular Weight:142.089
Molecular Formula:C17H18N4O (isomer)
Names and Identifiers
Synonyms

(6e)-4-bromo-6-[[3-(trifluoromethyl)anilino]methylidene]cycl DTXSID10420775 mfcd00115299 NCI60_001685 NSC 201835 nsc201835 nsc-201835 PC31155

Inchi
InChI=1S/C5H3FN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H
InChkey
IJVFHCSUEBAAOZ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(N=C1)[N+](=O)[O-])F
Properties
Melting Point
35°C
Boiling Point
581.6°C at 760 mmHg
Reach Info
Computational chemical data
  • Molecular Weight:142.089g/mol
  • Molecular Formula:C17H18N4O
  • Compound Is Canonicalized:True
  • Exact Mass:142.018
  • Monoisotopic Mass:142.018
  • Complexity:136
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:58.7A^2
  • Heavy Atom Count:10
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcQBjMQAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHQAEAAAACADBEgw9sJIYUACh ADJnZwCCgCkxAiAo2CA4ZJqIIOLAkZGEIAhggALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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