Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-FLUORO-2-BENZOTHIAZOLECARBOXYLIC ACID
139425-47-1 structure

5-FLUORO-2-BENZOTHIAZOLECARBOXYLIC ACID

Iupac Name:5-fluoro-1,3-benzothiazole-2-carboxylic acid
CAS No.:139425-47-1
Molecular Weight:197.183
Molecular Formula:C8H4FNO2S (isomer)
Names and Identifiers
Synonyms

2-benzothiazolecarboxylic acid, 5-fluoro- 5-fluoro-1,3-benzothiazole-2-carboxylic acid AKOS006309041 DTXSID70597437 SCHEMBL3642370 ZINC82909829

Inchi
InChI=1S/C8H4FNO2S/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12/h1-3H,(H,11,12)
InChkey
SZTWYWTZDUJKII-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=C1F)N=C(S2)C(=O)O
Computational chemical data
  • Molecular Weight:197.183g/mol
  • Molecular Formula:C8H4FNO2S
  • Compound Is Canonicalized:True
  • Exact Mass:196.995
  • Monoisotopic Mass:196.995
  • Complexity:226
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:78.4A^2
  • Heavy Atom Count:13
  • 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: AAADcYByMQBAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHwQACAAACAiB1ggwybIIEgis ASTyTASD8KBjCjhImDywZJgKIKLgkbGEIAhggAD4yAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
 
<