4-[3-(4-Chlorobenzoyl)-2-Methylphenyl]Butanoic Acid

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Properties Simple | Detailed

Formula C18H17ClO3
IUPAC Name 4-[3-(4-chlorobenzoyl)-2-methyl-phenyl]butanoic acid
Molecular Mass 316.779 g·mol−1
Heat of Formation -471.1 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 370.68 Å 3
Surface Area 325.99 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-methyl-3-(4-chlorobenzoyl)phenyl)butanoic acid
  • 4-[3-(4-chlorobenzoyl)-2-methyl-phenyl]butyric acid
  • 4-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]butanoic acid
  • 4-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]butanoic acid
  • benzenebutanoic acid, 3-(4-chlorobenzoyl)-2-methyl-
  • ru 16029
  • ru-16029
CAS Number(s)
  • 41651-99-4
InChIKey IFJDHARPMATWIG-UHFFFAOYSA-N
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Elements H C O Cl