Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6548845
199-54-2 structure

T6548845

CAS No.:199-54-2
Molecular Weight:252.316
Molecular Formula:C20H23NO6S (isomer)
Names and Identifiers
Synonyms

MCULE-9656525560 MOLPORT-009-526-155 n-[(4-fluoro-3-methylphenyl)methyl]-4-methanesulfonylpiperazine-1-carboxamide Z489714314 ZINC40477829

Inchi
InChI=1S/C20H12/c1-4-8-17-13(5-1)11-15-9-10-18-16-7-3-2-6-14(16)12-19(17)20(15)18/h1-12H
InChkey
YPMKRLARTMANBR-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=C3C=CC4=C3C2=CC5=CC=CC=C45
Properties
Vapour
1.39E-09mmHg at 25°C
Refractive Index
1.839
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:252.316g/mol
  • Molecular Formula:C20H23NO6S
  • Compound Is Canonicalized:True
  • Exact Mass:252.094
  • Monoisotopic Mass:252.094
  • Complexity:408
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:20
  • 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: AAADccB4AAAAAAAAAAAAAAAAAAAAAQAAAAAwYMGAAAAAAEDBVAAAGAAAAAAADACAGAAwAMAAAACA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-571-85378921
  • Fax:
 
<