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Home> Hot Product Listed M   > MCULE-9442315020
957121-09-4 structure

MCULE-9442315020

Iupac Name:(2-bromo-6-fluoro-3-methylphenyl)boronic acid
CAS No.:957121-09-4
Molecular Weight:232.843
Molecular Formula:C24H32N6O3 (isomer)
Names and Identifiers
Synonyms

4-cyano-n-{1-[4-(difluoromethoxy)phenyl]ethyl}piperidine-1-carboxamide MOLPORT-020-131-771 Z951569092

Inchi
InChI=1S/C7H7BBrFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3
InChkey
DJJQBIXFCLTFQS-UHFFFAOYSA-N
Canonical Smiles
B(C1=C(C=CC(=C1Br)C)F)(O)O
Properties
Refractive Index
1.562
Computational chemical data
  • Molecular Weight:232.843g/mol
  • Molecular Formula:C24H32N6O3
  • Compound Is Canonicalized:True
  • Exact Mass:231.971
  • Monoisotopic Mass:231.971
  • Complexity:158
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:40.5A^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: AAADcYJgMQAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAoGQBACAABrACAGAgyAIAAAACA AiBCAAACAAAgAAQIiAAAAKgIICKAERCAIAAggAAIihcAgAAOAAAAAAAAgAAAAAAAAAEAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-63065878-8006 15800915896
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  • Tel:0086-21-50563169
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