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Home> Hot Product Listed M   > MLS000707003
628692-15-9 structure

MLS000707003

Iupac Name:(2-methoxypyrimidin-5-yl)boronic acid
CAS No.:628692-15-9
Molecular Weight:153.932
Molecular Formula:C17H19N3O2 (isomer)
Names and Identifiers
Synonyms

11K-417S 5-acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile 5-acetyl-6-methyl-2-(pyrrolidin-1-yl)pyridine-3-carbonitrile 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile AC1LSUNU AKOS015991883 CHEMBL1390391 HE014087 HMS2661P13 MOLPORT-002-854-177 smr000334392 ZINC20218932

Inchi
InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3
InChkey
YPWAJLGHACDYQS-UHFFFAOYSA-N
Canonical Smiles
B(C1=CN=C(N=C1)OC)(O)O
Properties
Refractive Index
1.523
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 628692-15-9 EC: MLS000707003 ·ECHA C&L Inventory for CAS: CAS: 628692-15-9 EC: MLS000707003
Computational chemical data
  • Molecular Weight:153.932g/mol
  • Molecular Formula:C17H19N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:154.055
  • Monoisotopic Mass:154.055
  • Complexity:116
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:75.5A^2
  • Heavy Atom Count:11
  • 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: AAADcYJjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAoHgAACAAACADBEgYvkJYIFACg ABBnZACAgCkRAKABUCAoRBCACIBASUAEBAgIAAJAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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