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Home> Hot Product Listed 3   > 3,5-Dichloro-2-nitropyridine
1038981-83-7 structure

3,5-Dichloro-2-nitropyridine

Iupac Name:1,4-dioxaspiro[4.5]decane-8-thiol
CAS No.:1038981-83-7
Molecular Weight:174.258
Molecular Formula:C10H7CL2F2N3O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C8H14O2S/c11-7-1-3-8(4-2-7)9-5-6-10-8/h7,11H,1-6H2
InChkey
GLNUNPNRGZFERT-UHFFFAOYSA-N
Canonical Smiles
C1CC2(CCC1S)OCCO2
Properties
Boiling Point
405.2 °C at 760 mmHg
Computational chemical data
  • Molecular Weight:174.258g/mol
  • Molecular Formula:C10H7CL2F2N3O
  • Compound Is Canonicalized:True
  • Exact Mass:174.071
  • Monoisotopic Mass:174.071
  • Complexity:133
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:19.5A^2
  • Heavy Atom Count:11
  • 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: AAADccBwMABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAAAAAAAGgQAAAAACASkwAKACAAABAQA AAAAAAAAAAAAAAAAAAAAAAARAAIAAAAiAAAEAAAGAAGAQAAAAAAAAAAAAAABAAAAAAAAAAAAAAAA AA==
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