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Home> Hot Product Listed 4   > 4-Thiazolidinecarboxylicacid, 3-(chlorocarbonyl)-, methyl ester
1269421-25-1 structure

4-Thiazolidinecarboxylicacid, 3-(chlorocarbonyl)-, methyl ester

Iupac Name:N-(3-amino-4-chloro-2-fluorophenyl)-3-fluoropropane-1-sulfonamide
CAS No.:1269421-25-1
Molecular Weight:284.706
Molecular Formula:C8H11NO3S (isomer)
Names and Identifiers
Synonyms

3-(chlorocarbonyl)-4-thiazolidinecarboxylic acid methyl ester 3-(chlorocarbonyl)thiazolidine-4-carboxylic acid methyl ester 4-thiazolidinecarboxylic acid 3-(chlorocarbonyl)-,methyl ester,(r)- AC1MIF4I HE045353 HE220269 methyl 3-(carbonochloridoyl)-1,3-thiazolidine-4-carboxylate methyl 3-(chlorocarbonyl)thiazolidine-4-carboxylate methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate Methyl3-(chlorocarbonyl)-4-thiazolidinecarboxylate SCHEMBL9109446

Inchi
InChI=1S/C9H11ClF2N2O2S/c10-6-2-3-7(8(12)9(6)13)14-17(15,16)5-1-4-11/h2-3,14H,1,4-5,13H2
InChkey
YYPKIPFDDIBYFD-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C(=C1NS(=O)(=O)CCCF)F)N)Cl
Isomers Smiles
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Properties
Boiling Point
377°C at 760 mmHg
Flash Point
216.4°C
Computational chemical data
  • Molecular Weight:284.706g/mol
  • Molecular Formula:C8H11NO3S
  • Compound Is Canonicalized:True
  • Exact Mass:284.02
  • Monoisotopic Mass:284.02
  • Complexity:336
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:80.6A^2
  • Heavy Atom Count:17
  • 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: AAADccBzMYBEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQYQQAAACAqFUCiwwIBAAAKA ACRCQHDCAAAgBwAIiAAAZogIICKB0tGAIABgkAAIyAcQAAAAAABAAAQAABAAAIAACAAAIAAAAAAA AA==
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