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Home> Hot Product Listed B   > Benzoxazole, 2,3-dihydro-2-(trichloromethyl)-
6714-68-7 structure

Benzoxazole, 2,3-dihydro-2-(trichloromethyl)-

Iupac Name:spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CAS No.:6714-68-7
Molecular Weight:191.186
Molecular Formula:C13H13NO2S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H9NO3/c12-9-10(13-5-6-14-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)
InChkey
PRMHWSVVQZVDGR-UHFFFAOYSA-N
Canonical Smiles
C1COC2(O1)C3=CC=CC=C3NC2=O
Properties
Melting Point
125℃
Refractive Index
1.632
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S36/37
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:191.186g/mol
  • Molecular Formula:C13H13NO2S
  • Compound Is Canonicalized:True
  • Exact Mass:191.058
  • Monoisotopic Mass:191.058
  • Complexity:260
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:47.6A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAFgBAAAAHgAQAAAADAyhmAIwyILABACI AiVSUAKCAAAhAgAIiAFAbIgbJjLAtZ2nMAhm1AHe6AecyKCOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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