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Home> Hot Product Listed S   > SCHEMBL13059965
98191-30-1 structure

SCHEMBL13059965

Iupac Name:3,5-dichloro-4-fluorobenzoic acid
CAS No.:98191-30-1
Molecular Weight:208.997
Molecular Formula:C19H21N5 (isomer)
Names and Identifiers
Synonyms

2,2'-((2,2'-disulfanediylbis(propanoyl))bis(azanediyl))diacetic acid 5,5'-dithiobis(4-oxo-3-azahexanoic acid) glycine, n,n'-[dithiobis(2-methyl-1-oxo-2,1-ethanediyl)]bis- MXBCRXQYFIPNMH-UHFFFAOYSA-N Tiopronin Dimer Disodium Salt Tiopronin Disulfide Impurity Tiopronin Impurity 1 Tiopronin Impurity 3 Tiopronin Impurity D

Inchi
InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChkey
CRRHVMZOOBWYRG-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1Cl)F)Cl)C(=O)O
Properties
Refractive Index
1.574
Computational chemical data
  • Molecular Weight:208.997g/mol
  • Molecular Formula:C19H21N5
  • Compound Is Canonicalized:True
  • Exact Mass:207.949
  • Monoisotopic Mass:207.949
  • Complexity:176
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:12
  • 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: AAADcQBgMQAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwIACAAADAKAmCgwCIAAAgCI AiDSCAACAAAkBQAAiAEACsgIJjKBFxCAcQAkwAEImYeIyCCOAAAAIACAAAAAAABAAQAAAAAAAAAA AA==
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  • Tel:86-27-87465837
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