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Home > Boronic Acids > 874298-99-4
874298-99-4 | 1,1-Diethyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874298-99-4 Catalog No: AG00IEKK MDL No:MFCD22494435
Product Description
Catalog Number:
AG00IEKK
Chemical Name:
1,1-Diethyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874298-99-4
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
MDL Number:
MFCD22494435
IUPAC Name:
1,1-diethyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C17H27BN2O3/c1-7-20(8-2)15(21)19-14-11-9-10-13(12-14)18-22-16(3,4)17(5,6)23-18/h9-12H,7-8H2,1-6H3,(H,19,21)
InChI Key:
BPLNSCIWRQLTJE-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)CC
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.211g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.224g/mol
Monoisotopic Mass:
318.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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