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Home> Hot Product Listed T   > T6657819
98086-36-3 structure

T6657819

Iupac Name:N-[2,6-dichloro-4-[[2-chloroethyl(methyl)amino]methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CAS No.:98086-36-3
Molecular Weight:335.657
Molecular Formula:C18H19FN2O4 (isomer)
Names and Identifiers
Synonyms

MCULE-1347158810 MOLPORT-009-069-996 n-(4-acetamido-3-methoxyphenyl)-3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamide Z453957028 ZINC44774298

Inchi
InChI=1S/C13H17Cl3N4/c1-20(5-2-14)8-9-6-10(15)12(11(16)7-9)19-13-17-3-4-18-13/h6-7H,2-5,8H2,1H3,(H2,17,18,19)
InChkey
XFDVJGKSQRUEEM-UHFFFAOYSA-N
Canonical Smiles
CN(CCCl)CC1=CC(=C(C(=C1)Cl)NC2=NCCN2)Cl
Properties
Refractive Index
1.628
Computational chemical data
  • Molecular Weight:335.657g/mol
  • Molecular Formula:C18H19FN2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:334.052
  • Monoisotopic Mass:334.052
  • Complexity:328
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:20
  • 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
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