2-Clorocinnamic Acid

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Properties Simple | Detailed

Formula C9H7ClO2
IUPAC Name (e)-3-(2-chlorophenyl)prop-2-enoic acid
Molecular Mass 182.604 g·mol−1
Heat of Formation -263.6 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 204.56 Å 3
Surface Area 202.0 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2-chlorophenyl)acrylic acid
  • (e)-o-chlorocinnamic acid
  • 2-(2-chlorophenyl)propenoic acid
  • 2-[2-chlorophenyl]propenoic acid
  • 2-chlorocinnamic acid
  • 2-chlorocinnamic acid, predominantly trans
  • 2-propenoic acid, 3-(2-chlorophenyl)-
  • 2-propenoic acid, 3-(2-chlorophenyl)- (9ci)
  • 3-(2-chlorophenyl)-2-propenoic acid
  • 3-(2-chlorophenyl)acrylic acid
  • 3-(2-chlorophenyl)prop-2-enoic acid
  • aronis004782
  • cinnamic acid, o-chloro-
  • o-chlorocinnamic acid
CAS Number(s)
  • 3752-25-8
  • 939-58-2
  • 4513-41-1
InChIKey KJRRTHHNKJBVBO-AATRIKPKSA-N
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Elements H C O Cl