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Home > Boronic Acids > 1246765-28-5
1246765-28-5 | Boronic acid, B-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-
CAS No: 1246765-28-5 Catalog No: AG000MLA MDL No:MFCD16036561
Product Description
Catalog Number:
AG000MLA
Chemical Name:
Boronic acid, B-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-
CAS Number:
1246765-28-5
Molecular Formula:
C8H8BNO4
Molecular Weight:
192.9644
MDL Number:
MFCD16036561
IUPAC Name:
(3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid
InChI:
InChI=1S/C8H8BNO4/c11-8-4-14-7-2-1-5(9(12)13)3-6(7)10-8/h1-3,12-13H,4H2,(H,10,11)
InChI Key:
UWJIVYCLHMPFPZ-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)B(O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
192.965g/mol
Monoisotopic Mass:
193.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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