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Home > Boronic Acids > 877134-77-5
877134-77-5 | 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 877134-77-5 Catalog No: AG008DO9 MDL No:MFCD06795683
Product Description
Catalog Number:
AG008DO9
Chemical Name:
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
877134-77-5
Molecular Formula:
C13H19BN2O3
Molecular Weight:
262.1126
MDL Number:
MFCD06795683
IUPAC Name:
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)16-11(15)17/h5-8H,1-4H3,(H3,15,16,17)
InChI Key:
BVWCMMVUJQHJJE-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.149g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.116g/mol
Monoisotopic Mass:
262.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism. | Nature chemical biology 20071101 |
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