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Home> Hot Product Listed F   > F2508-1596
147118-35-2 structure

F2508-1596

Iupac Name:methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-$l^{5}-phosphanylidene)hexanoate
CAS No.:147118-35-2
Molecular Weight:534.708
Molecular Formula:C21H21N3O4S (isomer)
Names and Identifiers
Synonyms

AKOS024654595 MCULE-7215041964 MOLPORT-009-694-252 n-(3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide

Inchi
InChI=1S/C31H39O4PSi/c1-31(2,3)37(5,6)35-26(23-30(33)34-4)22-25(32)24-36(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,24,26H,22-23H2,1-6H3/t26-/m1/s1
InChkey
LKFANOWXMJEZDI-AREMUKBSSA-N
Canonical Smiles
CC(C)(C)[Si](C)(C)OC(CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC
Properties
Melting Point
77.5-78.5 °C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 147118-35-2 EC: F2508-1596 ·ECHA C&L Inventory for CAS: CAS: 147118-35-2 EC: F2508-1596
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:534.708g/mol
  • Molecular Formula:C21H21N3O4S
  • Compound Is Canonicalized:True
  • Exact Mass:534.236
  • Monoisotopic Mass:534.236
  • Complexity:744
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:37
  • Defined Atom Stereocenter Count:1
  • 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: AAADcfB4OAoAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGhgAAEAADBSosAJyCIAABCGI AKDSCAACAAAgAAAIiAEAAIgIIDaAERCAIAAloAAIiAeITgAgAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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