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Home> Hot Product Listed T   > T6754840
1155877-70-5 structure

T6754840

Iupac Name:3-bromo-2-fluoro-4-methoxybenzaldehyde
CAS No.:1155877-70-5
Molecular Weight:233.036
Molecular Formula:C22H23NO3 (isomer)
Names and Identifiers
Synonyms

3-fluoro-n-(2-methoxy-5-{[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino}phenyl)benzamide MCULE-8527332534 MOLPORT-009-090-326 Z742115508

Inchi
InChI=1S/C8H6BrFO2/c1-12-6-3-2-5(4-11)8(10)7(6)9/h2-4H,1H3
InChkey
JZZFGKYKWIWFGN-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C(=C(C=C1)C=O)F)Br
Computational chemical data
  • Molecular Weight:233.036g/mol
  • Molecular Formula:C22H23NO3
  • Compound Is Canonicalized:True
  • Exact Mass:231.954
  • Monoisotopic Mass:231.954
  • Complexity:165
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:26.3A^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
  • CACTVS Substructure Key Fingerprint: AAADcYBwMQAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwBAAAABrASgmAoyBoAABACI AihSgAACCAAkIAQIiAEGCOgMJjKENRqAMSAkwBEIq5eIzADOIAAAEAAABABAAAAgAAAIAAAAAAAA AA==
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