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Home> Hot Product Listed P   > Phosphorodichloridothioicacid (7CI,8CI,9CI)
137424-95-4 structure

Phosphorodichloridothioicacid (7CI,8CI,9CI)

Iupac Name:(5Z)-5-(nitrosomethylidene)-3-propan-2-yl-2H-1,2-oxazole
CAS No.:137424-95-4
EINECS(EC#): 283-280-9
Molecular Weight:154.169
Molecular Formula:C6H6BR2CLNO (isomer)
Names and Identifiers
Synonyms

Chlorothiophosphoricacid

Inchi
InChI=1S/C7H10N2O2/c1-5(2)7-3-6(4-8-10)11-9-7/h3-5,9H,1-2H3/b6-4-
InChkey
WLNWJQZMGUJCSA-XQRVVYSFSA-N
Canonical Smiles
CC(C)C1=CC(=CN=O)ON1
Properties
Boiling Point
451.9°Cat760mmHg
Flash Point
°C
Computational chemical data
  • Molecular Weight:154.169g/mol
  • Molecular Formula:C6H6BR2CLNO
  • Compound Is Canonicalized:True
  • Exact Mass:154.074
  • Monoisotopic Mass:154.074
  • Complexity:219
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:50.7A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAUAAAADQzBgAQCAABQAACB ACRGQgAAAAAgAgAgCAAAAAgIBAAAAQAAEAAAEAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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