4'-[(5-Butyl-1H-Tetrazol-1-Yl)Methyl]-2-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C19H20N4O2
IUPAC Name 2-[4-[(5-butyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)methyl]phenyl]benzoic acid
Molecular Mass 336.388 g·mol−1
Heat of Formation 53.2 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 413.65 Å 3
Surface Area 363.03 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-(2'-carboxyphenyl)benzyl)-5-butyltetrazole
  • 2-[4-[(5-butyl-1,2,3,4-tetrazol-1-yl)methyl]phenyl]benzoic acid
  • 2-[4-[(5-butyl-1-tetrazolyl)methyl]phenyl]benzoic acid
  • 2-[4-[(5-butyltetrazol-1-yl)methyl]phenyl]benzoic acid
  • 5-bu-cbt
  • 5-butyl-1-(4-(2'-carboxyphenyl)benzyl)tetrazole
CAS Number(s)
  • 150871-48-0
InChIKey XGAJCHJIFNVEPB-UHFFFAOYSA-N
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