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Home> Hot Product Listed 4   > 4G-352S
321848-45-7 structure

4G-352S

Iupac Name:5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CAS No.:321848-45-7
Molecular Weight:365.168
Molecular Formula:C12H8BrF3N2OS (isomer)
Names and Identifiers
Synonyms

5-((4-bromophenyl)thio)-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carbaldehyde 5-(4-bromophenylthio)-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxaldehyde 5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carbaldehyde 5-[(4-bromophenyl)sulfanyl]-1-methyl-3-trifluoromethyl-1h-pyrazole-4-carbaldehyde AK470750 AKOS005070283 bromophenylsulfanylmethyltrifluoromethylpyrazolecarbaldehyde HE004988 mfcd01935942 MOLPORT-001-777-654 pc8125 RP17013 ZINC2388267 zx-ap005983

Inchi
InChI=1S/C12H8BrF3N2OS/c1-18-11(20-8-4-2-7(13)3-5-8)9(6-19)10(17-18)12(14,15)16/h2-6H,1H3
InChkey
OUXFZWVJTHPVHP-UHFFFAOYSA-N
Canonical Smiles
CN1C(=C(C(=N1)C(F)(F)F)C=O)SC2=CC=C(C=C2)Br
Computational chemical data
  • Molecular Weight:365.168g/mol
  • Molecular Formula:C12H8BrF3N2OS
  • Compound Is Canonicalized:True
  • Exact Mass:363.949
  • Monoisotopic Mass:363.949
  • Complexity:350
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:20
  • 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
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