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Home > Boronic Acids > 1009303-58-5
1009303-58-5 | 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-ol
CAS No: 1009303-58-5 Catalog No: AG00H9DO MDL No:MFCD16995177
Product Description
Catalog Number:
AG00H9DO
Chemical Name:
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-ol
CAS Number:
1009303-58-5
Molecular Formula:
C14H17BN2O3
Molecular Weight:
272.1074
MDL Number:
MFCD16995177
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-quinazolin-4-one
InChI:
InChI=1S/C14H17BN2O3/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(18)17-8-16-11/h5-8H,1-4H3,(H,16,17,18)
InChI Key:
CFNLSARGOZGEQL-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.111g/mol
Monoisotopic Mass:
272.133g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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