(5-Chloro-1-Benzothiophen-3-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C10H7ClO2S
IUPAC Name 2-(5-chlorobenzothiophen-3-yl)acetic acid
Molecular Mass 226.679 g·mol−1
Heat of Formation -267.2 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 242.1 Å 3
Surface Area 226.15 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • (5-chloro-1-benzothien-3-yl)acetic acid
  • 2-(5-chloro-1-benzothiophen-3-yl)acetic acid
  • 2-(5-chloro-1-benzothiophen-3-yl)ethanoic acid
  • 2-(5-chloro-3-benzothiophenyl)acetic acid
  • 5-chlorobenzo(b)thiophene-3-acetic acid
  • 5-chlorobenzo[b]thiophene-3-acetic acid
  • an-278/25047014
  • benzo(b)thiophene-3-acetic acid, 5-chloro-
  • oprea1_626164
CAS Number(s)
  • 17266-30-7
InChIKey QQKKTOPRRGBBCT-UHFFFAOYSA-N
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Elements H C S O Cl