Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6495600
473416-06-7 structure

T6495600

Iupac Name:tert-butyl 3-bromo-5-cyanoindazole-1-carboxylate
CAS No.:473416-06-7
Molecular Weight:322.162
Molecular Formula:C27H22F3N3O3S (isomer)
Names and Identifiers
Synonyms

2-{[1-(pyridin-3-yl)ethyl]sulfanyl}-1,3-benzoxazole MCULE-1443869789 MOLPORT-009-071-445 Z569697088

Inchi
InChI=1S/C13H12BrN3O2/c1-13(2,3)19-12(18)17-10-5-4-8(7-15)6-9(10)11(14)16-17/h4-6H,1-3H3
InChkey
NSNATHNNRHFWDX-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)C(=N1)Br
Computational chemical data
  • Molecular Weight:322.162g/mol
  • Molecular Formula:C27H22F3N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:321.011
  • Monoisotopic Mass:321.011
  • Complexity:412
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:67.9A^2
  • Heavy Atom Count:19
  • 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: AAADccBzMAAAEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgBIAAABPEyBngAyyPIIBAC6 ByRiXACyBAAhAgQamCAwZLgIoKLA0dGMpAhgjABIyh8QgEAOCAACAAACAAAQAAQAAAQAAAAAAAAA AA==
Recommended Suppliers
Recommended Suppliers
 
<