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Home> Hot Product Listed T   > T6433301
1193383-09-3 structure

T6433301

Iupac Name:1-[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
CAS No.:1193383-09-3
Molecular Weight:346.65
Molecular Formula:C14H14FN5 (isomer)
Names and Identifiers
Synonyms

3-bromo-2-(2-methoxyphenyl)-4-methylquinoline hydrochloride MCULE-6710089984 MOLPORT-009-399-910 Z134830050

Inchi
InChI=1S/C12H6ClF3N4O3/c13-6-1-7-8(2-9(6)23-12(14,15)16)19-11(18-7)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)
InChkey
FXHHASJVTYRJHH-UHFFFAOYSA-N
Canonical Smiles
C1=C2C(=CC(=C1Cl)OC(F)(F)F)N=C(N2)N3C=C(C=N3)C(=O)O
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:346.65g/mol
  • Molecular Formula:C14H14FN5
  • Compound Is Canonicalized:True
  • Exact Mass:346.008
  • Monoisotopic Mass:346.008
  • Complexity:469
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:93A^2
  • Heavy Atom Count:23
  • 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: AAADcYBzsYAEAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgB/AAAHwIYCAAADA7BnjQ93rbJlgCq AzT3bACSjC21t+AVmSE+f9iMbqvF+9uU9Kh+2BtI+OewUAMAAEBAAgIACCAAgIAEBAAQQAAAAAAA AA==
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