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Home> Encyclopedia > Hot Product Listed M   > MOLPORT-006-717-114
1187385-69-8 structure

MOLPORT-006-717-114

Iupac Name:4-bromo-3,5-dimethyl-1-(oxan-2-yl)pyrazole
CAS No.:1187385-69-8
Molecular Weight:259.147
Molecular Formula:C10H15BrN2O (isomer)
Names and Identifiers
Synonyms

4-bromo-3,5-dimethyl-1-(2-tetrahydropyranyl)-1h-pyrazole 4-bromo-3,5-dimethyl-1-(2-tetrahydropyranyl)-1h-pyrazole, 95% 4-bromo-3,5-dimethyl-1-(oxan-2-yl)-1h-pyrazole 4-bromo-3,5-dimethyl-1-(oxan-2-yl)pyrazole 4-bromo-3,5-dimethyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole 4-bromo-3,5-dimethyl-1-(tetrahydropyran-2-yl)pyrazole 4-Bromo-3,5-dimethyl-1-(THP)-1H-pyrazole A-5259 ACMC-2099YC AK105588 AKOS015834447 ANW-17170 CTK4B0820 DTXSID70670577 HE146841 I14-24583 KB-37116 mfcd11844792 TR-034237 Z2218556469 Z7952

Inchi
InChI=1S/C10H15BrN2O/c1-7-10(11)8(2)13(12-7)9-5-3-4-6-14-9/h9H,3-6H2,1-2H3
InChkey
SQNKVHBFAOKTBH-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=NN1C2CCCCO2)C)Br
Computational chemical data
  • Molecular Weight:259.147g/mol
  • Molecular Formula:C10H15BrN2O
  • Compound Is Canonicalized:True
  • Exact Mass:258.037
  • Monoisotopic Mass:258.037
  • Complexity:203
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:27A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzIAAAEAAAAAAAAAAAAAAAAWAAAAAkAAAAAAAAAAABgAAAHgBIAAABqAjhlgYCgJIIBACi AQRgRACQBAAhgAQQWCA4RDgAIAJAwNAOhAhkCADISAKQEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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