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Home> Hot Product Listed B   > Benzenamine, 4-iodo-2-methyl-N-[2-(1H-tetrazol-5-yl)phenyl]-
1029421-36-0 structure

Benzenamine, 4-iodo-2-methyl-N-[2-(1H-tetrazol-5-yl)phenyl]-

Iupac Name:6-bromo-5-fluoro-4H-1,4-benzoxazin-3-one
CAS No.:1029421-36-0
Molecular Weight:246.035
Molecular Formula:C12H16O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C8H5BrFNO2/c9-4-1-2-5-8(7(4)10)11-6(12)3-13-5/h1-2H,3H2,(H,11,12)
InChkey
JIHABKIDCVPCNQ-UHFFFAOYSA-N
Canonical Smiles
C1C(=O)NC2=C(O1)C=CC(=C2F)Br
Computational chemical data
  • Molecular Weight:246.035g/mol
  • Molecular Formula:C12H16O2
  • Compound Is Canonicalized:True
  • Exact Mass:244.949
  • Monoisotopic Mass:244.949
  • Complexity:226
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:38.3A^2
  • Heavy Atom Count:13
  • 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: AAADcYByMQAAEAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHwBQAAABqAyhkAowxoLABACI ACVSUAKCCAAhIAQIiABHTKgOJiLEsJ+HOCjk1BHY6heQQAAAABAAAAEAEAAAIAAAAgAgAAAAAAAA AA==
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