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Home> Hot Product Listed T   > T6128880
501688-77-3 structure

T6128880

Iupac Name:6-chloro-2-methyl-1H-benzimidazol-4-amine
CAS No.:501688-77-3
Molecular Weight:181.623
Molecular Formula:C12H9F2N (isomer)
Names and Identifiers
Synonyms

benzyl n-{3-methyl-1-oxo-1-[4-(phenylcarbamoyl)piperidin-1-yl]butan-2-yl}carbamate MCULE-8182733524 MOLPORT-009-373-892 Z96028905

Inchi
InChI=1S/C8H8ClN3/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,10H2,1H3,(H,11,12)
InChkey
MBRXTPLHDORLEE-UHFFFAOYSA-N
Canonical Smiles
CC1=NC2=C(C=C(C=C2N1)Cl)N
Computational chemical data
  • Molecular Weight:181.623g/mol
  • Molecular Formula:C12H9F2N
  • Compound Is Canonicalized:True
  • Exact Mass:181.041
  • Monoisotopic Mass:181.041
  • Complexity:176
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:12
  • 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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