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Home > Boronic Acids > 944805-83-8
944805-83-8 | 1-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS No: 944805-83-8 Catalog No: AG01B7MP MDL No:MFCD22377118
Product Description
Catalog Number:
AG01B7MP
Chemical Name:
1-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS Number:
944805-83-8
Molecular Formula:
C14H19BN2O3
Molecular Weight:
274.1233
MDL Number:
MFCD22377118
IUPAC Name:
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one
InChI:
InChI=1S/C14H19BN2O3/c1-13(2)14(3,4)20-15(19-13)9-6-7-10-11(8-9)17(5)12(18)16-10/h6-8H,1-5H3,(H,16,18)
InChI Key:
WKNNSOFMCNKQNB-UHFFFAOYSA-N
SMILES:
Cn1c(=O)[nH]c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.127g/mol
Monoisotopic Mass:
274.149g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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