3-N-Ethoxycarbonylmethyl-4-Chloro-Benzothiazol-2-One

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Properties Simple | Detailed

Formula C11H10ClNO3S
IUPAC Name ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
Molecular Mass 271.720 g·mol−1
Heat of Formation -468.0 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 287.78 Å 3
Surface Area 243.92 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)acetic acid ethyl ester
  • 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid ethyl ester
  • 3(2h)-benzothiazoleacetic acid, 4-chloro-2-oxo-, ethyl ester
  • 3-benzothiazolineacetic acid, 4-chloro-2-oxo-, ethyl ester
  • 4-chloro-2-oxo-3(2h)-benzothiazole acetic acid ethyl ester
  • 4-chloro-2-oxo-3(2h)-benzothiazoleacetic acid ethyl ester
  • benazolin ethyl ester
  • benazolin ethyl ester [ansi]
  • benazolin-ethyl
  • benazolin-ethyl ester
  • caswell no. 202b
  • epa pesticide chemical code 126801
  • ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)ethanoate
  • ethyl 4-chloro-2-oxo-2h-benzothiazole-3-acetate
  • ethyl 4-chloro-2-oxo-3(2h)-benzothiazoleacetate
  • ethyl-4-chlor-2-oxo-benzothiazolinacetat
CAS Number(s)
  • 25059-80-7
InChIKey WQRCEBAZAUAUQC-UHFFFAOYSA-N
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Elements C Cl H O N S