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Home> Encyclopedia > Hot Product Listed 4   > 4-Bromo-3-methyl-5-(trifluoromethyl)-1-(6-chloropyridin-2-yl)pyrazole
1187386-13-5 structure

4-Bromo-3-methyl-5-(trifluoromethyl)-1-(6-chloropyridin-2-yl)pyrazole

Iupac Name:2-[4-bromo-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-chloropyridine
CAS No.:1187386-13-5
Molecular Weight:340.528
Molecular Formula:C10H6BrClF3N3 (isomer)
Names and Identifiers
Synonyms

2-(4-bromo-3-methyl-5-(trifluoromethyl)-1h-pyrazol-1-yl)-6-chloropyridine 2-[4-bromo-3-methyl-5-(trifluoromethyl)-1h-pyrazol-1-yl]-6-chloropyridine 2-[4-bromo-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-chloropyridine A-5299 ACMC-2099ZF AJ-96104 AK-91186 AKOS015834418 ANW-17209 AX8229603 c10h6brclf3n3 CTK4B0859 DTXSID80674960 I02-3092 KB-14694 mfcd12546466 ST2403929 TR-034280 Z7992 ZINC38537387

Inchi
InChI=1S/C10H6BrClF3N3/c1-5-8(11)9(10(13,14)15)18(17-5)7-4-2-3-6(12)16-7/h2-4H,1H3
InChkey
DLZAPWLLSCNBQV-UHFFFAOYSA-N
Canonical Smiles
CC1=NN(C(=C1Br)C(F)(F)F)C2=NC(=CC=C2)Cl
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:340.528g/mol
  • Molecular Formula:C10H6BrClF3N3
  • Compound Is Canonicalized:True
  • Exact Mass:338.939
  • Monoisotopic Mass:338.939
  • Complexity:305
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:30.7A^2
  • Heavy Atom Count:18
  • 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: AAADcYBzAYAEEAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHQJIAAABqAqBFjAzsJIIEACi ASZiZACShCkhByQdmCAwZriIIOLB29GEpAhoiALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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