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Home> Hot Product Listed A   > AKOS004917636
1214380-91-2 structure

AKOS004917636

Iupac Name:5-(4-fluorophenyl)pyridin-3-amine
CAS No.:1214380-91-2
Molecular Weight:188.205
Molecular Formula:C19H14BRFN4S3 (isomer)
Names and Identifiers
Synonyms

F3411-3988 MCULE-7438210152 MOLPORT-010-734-117 n-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)acetamide n-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl)thio]acetamide n-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl)thio)acetamide ZINC35372985

Inchi
InChI=1S/C11H9FN2/c12-10-3-1-8(2-4-10)9-5-11(13)7-14-6-9/h1-7H,13H2
InChkey
QSNBTRVXHPMFJT-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C2=CC(=CN=C2)N)F
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:188.205g/mol
  • Molecular Formula:C19H14BRFN4S3
  • Compound Is Canonicalized:True
  • Exact Mass:188.075
  • Monoisotopic Mass:188.075
  • Complexity:178
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:38.9A^2
  • Heavy Atom Count:14
  • 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: AAADccBzAQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHQAQAAAADAjBGgw8wJJIEACg AjRnRACCgCAxEiAI2CAodJgIYOLAkZGUIAhgkADIyAcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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