Cas no 304853-90-5 (4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid)

4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid structure
304853-90-5 structure
Product Name:4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid
CAS No:304853-90-5
MF:C10H12BNO4
MW:221.017582893372
CID:299607
PubChem ID:10987806
Update Time:2025-04-19

4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid
    • (4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)boronic acid
    • Boronic acid,B-(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)-
    • (4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronicacid
    • Boronicacid, (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)- (9CI)
    • 4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo [d][1,3]oxazin-6-ylboronic acid
    • (1,4-dihydro4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid
    • (4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)boronic acid
    • SCHEMBL1743997
    • 4,4-dimethyl 2 oxo -1,4-dihydro 2H-benzo[d][1,3]oxazine-6-boronic acid
    • (4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid
    • (4,4-dimethyl-2-oxo-2,4-dihydro-1H-3,1-benzoxazin-6-yl)boronic acid
    • (4,4-dimethyl-1,4-dihydro-2-oxo-2H-3,1 -benzoxazin-6-yl)boronic acid
    • 4,4-dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-boronic acid
    • QHWLPZYUNQBUGQ-UHFFFAOYSA-N
    • (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1 -benzoxazin-6-yl) boronic acid
    • (4,4-dimethyl-1,4-dihydro-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid
    • 4,4-dimethyl 2 oxo-1,4-dihydro 2H-benzo[d][1,3]oxazin-6-boronic acid
    • (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzooxazin-6-yl)boronic acid
    • starbld0018458
    • (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl) boronic acid
    • (1, 4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid
    • (1.4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid
    • 4,4-dimethyl 2 oxo-1,4-dihydro 2 H-benzo [d][1,3]oxazine -6-boronic acid
    • DTXSID20450922
    • (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid
    • 4,4-dimethyl 2 oxo-1,4-dihydro 2H-benzo[d][1,3]oxazine-6-boronic acid
    • 304853-90-5
    • (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1 -benzoxazin-6-yl)boronic acid
    • Inchi: 1S/C10H12BNO4/c1-10(2)7-5-6(11(14)15)3-4-8(7)12-9(13)16-10/h3-5,14-15H,1-2H3,(H,12,13)
    • InChI Key: QHWLPZYUNQBUGQ-UHFFFAOYSA-N
    • SMILES: O1C(NC2C=CC(B(O)O)=CC=2C1(C)C)=O

Computed Properties

  • Exact Mass: 220.08956
  • Monoisotopic Mass: 221.0859380g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 295
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 78.8?2

Experimental Properties

  • PSA: 78.79
  • LogP: -0.38720
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