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Home> Hot Product Listed T   > T6726479
1215073-37-2 structure

T6726479

Iupac Name:5-bromo-2-[3-(trifluoromethyl)phenyl]pyridine
CAS No.:1215073-37-2
Molecular Weight:302.094
Molecular Formula:C14H8F2N2O (isomer)
Names and Identifiers
Synonyms

4-tert-butyl-n-(2-methoxy-5-methylphenyl)-1,4-diazepane-1-carboxamide MCULE-8745833400 MOLPORT-009-112-343 Z931301118 ZINC58140853

Inchi
InChI=1S/C12H7BrF3N/c13-10-4-5-11(17-7-10)8-2-1-3-9(6-8)12(14,15)16/h1-7H
InChkey
MMQGMAGVZIROCJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)C(F)(F)F)C2=NC=C(C=C2)Br
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:302.094g/mol
  • Molecular Formula:C14H8F2N2O
  • Compound Is Canonicalized:True
  • Exact Mass:300.971
  • Monoisotopic Mass:300.971
  • Complexity:257
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:12.9A^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: AAADcYByAYAAEAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHQBAAAABrAjBHhQ8gJIIEACg AzRnRACCgCAxAiQI2CA4ZLgIIOLAkZGEIAhggADIyhcQgMAOAAACAAAAAAAAAAQAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-574-87670845
  • Fax:
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+86-(551)-3653857
  • Fax:+86-(551)-3632153
 
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