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Home> Hot Product Listed T   > T6565068
55211-73-9 structure

T6565068

Iupac Name:2-(4-nitrophenyl)-3,1-benzoxathiin-4-one
CAS No.:55211-73-9
Molecular Weight:287.289
Molecular Formula:C16H25N3O2 (isomer)
Names and Identifiers
Synonyms

3-methyl-n-[3-(1h-pyrazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide MCULE-8910249890 MOLPORT-009-537-428 Z357035086

Inchi
InChI=1S/C14H9NO4S/c16-13-11-3-1-2-4-12(11)20-14(19-13)9-5-7-10(8-6-9)15(17)18/h1-8,14H
InChkey
JGPYSTGKMNQEJQ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)OC(S2)C3=CC=C(C=C3)[N+](=O)[O-]
Properties
Refractive Index
1.672
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:287.289g/mol
  • Molecular Formula:C16H25N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:287.025
  • Monoisotopic Mass:287.025
  • Complexity:389
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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