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Home> Hot Product Listed F   > F0641-0343
117903-53-4 structure

F0641-0343

CAS No.:117903-53-4
Molecular Weight:372.09824
Molecular Formula:C16H17N5O3S (isomer)
Names and Identifiers
Synonyms

AB00670393-01 AC1MR2CC AKOS024590228 ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-phenoxyacetamido)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate ethyl 3-(4-fluorophenyl)-4-oxo-5-[(2-phenoxyacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylate MCULE-2083639697 MOLPORT-003-037-923 ZINC9381516

Inchi
InChI=1/C14H14Br2N2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H,17-18H2/p+2/t13-,14+
Canonical Smiles
C1=CC(=CC=C1C(C(C2=CC=C(C=C2)Br)[NH3+])[NH3+])Br
Isomers Smiles
C1=CC(=CC=C1[C@H]([C@H](C2=CC=C(C=C2)Br)[NH3+])[NH3+])Br
Properties
Vapour
8.57E-09mmHg at 25°C
Safety and Handling
Risk Statements
R34
Safety Statements
S45
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:372.09824g/mol
  • Molecular Formula:C16H17N5O3S
  • Exact Mass:371.965977
  • Monoisotopic Mass:369.968024
  • Complexity:220
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:55.3
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:2
  • 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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