Coumarin, 3-Chloro-7-Hydroxy-4-Methyl-

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Properties Simple | Detailed

Formula C10H8ClO3+
IUPAC Name 3-chloro-7-hydroxy-4-methyl-chromen-2-one
Molecular Mass 211.622 g·mol−1
Heat of Formation -415.5 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 219.95 Å 3
Surface Area 210.17 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 3-chloro-7-hydroxy-4-methyl-
  • 3-chloro-4-methyl-7-hydroxycoumarin
  • 3-chloro-4-methylumbelliferone
  • 3-chloro-7-hydroxy-4-methyl-2-benzopyrone
  • 3-chloro-7-hydroxy-4-methyl-2-chromenone
  • 3-chloro-7-hydroxy-4-methyl-2h-1-benzopyran-2-one
  • 3-chloro-7-hydroxy-4-methyl-2h-chromen-2-one
  • 3-chloro-7-hydroxy-4-methyl-coumarin
  • 3-chloro-7-hydroxy-4-methylchromen-2-one
  • 3-chloro-7-hydroxy-4-methylcoumarin
  • 7-hydroxy-4-methyl-3-chlorocoumarin
  • an-829/40891487
  • chlorferone
  • chlorferron
  • oprea1_070479
CAS Number(s)
  • 119739-80-9
  • 6174-86-3
InChIKey ODZHLDRQCZXQFQ-UHFFFAOYSA-N
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Elements H C O Cl