(3-Bromo-5-Tert-Butyl-4-Hydroxybenzylidene)Malononitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C14H13BrN2O
IUPAC Name 2-[(3-bromo-5-tert-butyl-4-hydroxy-phenyl)methylene]propanedinitrile
Molecular Mass 305.170 g·mol−1
Heat of Formation 163.3 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 324.3 Å 3
Surface Area 286.15 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-bromo-5-tert-butyl-4-hydroxy-benzylidene)malononitrile
  • 2-[(3-bromo-4-hydroxy-5-tert-butyl-phenyl)methylidene]propanedinitrile
  • 2-[(3-bromo-5-tert-butyl-4-hydroxy-phenyl)methylidene]propanedinitrile
  • 2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylene]propanedinitrile
  • 2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
  • 3-bromo-5-t-butyl-4-hydroxy-benzylidenemalonitrile
  • ag 1024
  • hsci1_000032
  • propanedinitrile, [[3-bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-
  • propanedinitrile, [[3-bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]- (9ci)
  • t6068
  • tyrphostin ag 1024
CAS Number(s)
  • 65678-07-1
InChIKey ABBADGFSRBWENF-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N