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Home> Hot Product Listed A   > AKOS029505357
38577-97-8 structure

AKOS029505357

CAS No.:38577-97-8
Molecular Weight:584.09934
Molecular Formula:C16H15N3O3S (isomer)
Names and Identifiers
Synonyms

MCULE-2346603702 MOLPORT-008-888-073 n-[2-(2-chlorophenyl)-2-(morpholin-4-yl)ethyl]-1-phenylmethanesulfonamide Z401414962

Inchi
InChI=1/C20H10I2O5/c21-14-6-5-13-17(18(14)22)19(25)27-20(13)11-3-1-9(23)7-15(11)26-16-8-10(24)2-4-12(16)20/h1-8,23-24H
Canonical Smiles
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)I)OC5=C3C=CC(=C5I)O
Properties
Refractive Index
1.893
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 38577-97-8 EC: AKOS029505357 ·ECHA C&L Inventory for CAS: CAS: 38577-97-8 EC: AKOS029505357
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:584.09934g/mol
  • Molecular Formula:C16H15N3O3S
  • Exact Mass:583.861759
  • Monoisotopic Mass:583.861759
  • Complexity:585
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:76
  • Heavy Atom Count:27
  • 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
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