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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyridinecarboxaldehyde,3-fluoro-
68460-04-8 structure

2-Pyridinecarboxaldehyde,3-fluoro-

Iupac Name:sodium;2-(benzenesulfonamido)ethyl sulfate
CAS No.:68460-04-8
Molecular Weight:303.279
Molecular Formula:C12H10O4 (isomer)
Names and Identifiers
Synonyms

3-Fluoro-2-formylpyridine 3-Fluoro-2-pyridinecarboxaldehyde Picolinaldehyde,3-fluoro- (8CI)

Inchi
InChI=1S/C8H11NO6S2.Na/c10-16(11,8-4-2-1-3-5-8)9-6-7-15-17(12,13)14;/h1-5,9H,6-7H2,(H,12,13,14);/q;+1/p-1
InChkey
RBIOGJORBVISNE-UHFFFAOYSA-M
Canonical Smiles
C1=CC=C(C=C1)S(=O)(=O)NCCOS(=O)(=O)[O-].[Na+]
Properties
Density
1.335
Boiling Point
183°C
Flash Point
156°C
Safety and Handling
Safety

Hazard Note: Harmful

Specification

 3-Fluoro-2-pyridinecarboxaldehyde , its cas register number is 31224-43-8. It also can be called 2-Pyridinecarboxaldehyde,3-fluoro- ; 3-Fluoropyridine-2-Carbaldehyde ; 3-Fluoro-2-Formylpyridine ; 2-Pyridinecarboxaldehyde,3-Fluoro-(9CI) ; 3-Fluro-2-Formylpyridine .

Computational chemical data
  • Molecular Weight:303.279g/mol
  • Molecular Formula:C12H10O4
  • Compound Is Canonicalized:True
  • Exact Mass:302.985
  • Monoisotopic Mass:302.985
  • Complexity:418
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:129A^2
  • Heavy Atom Count:18
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccByOCBgAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgQQQAAACADh0AYwAYBAAAKA ACBCAHBCABAgAAAIiJgAAIgKICKAERCAIAAgkAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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