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Home > Boronic Acids > 1260088-68-3
1260088-68-3 | Urea, N-3-oxetanyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 1260088-68-3 Catalog No: AG000QRH MDL No:MFCD22690835
Product Description
Catalog Number:
AG000QRH
Chemical Name:
Urea, N-3-oxetanyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
1260088-68-3
Molecular Formula:
C16H23BN2O4
Molecular Weight:
318.1758
MDL Number:
MFCD22690835
IUPAC Name:
1-(oxetan-3-yl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C16H23BN2O4/c1-15(2)16(3,4)23-17(22-15)11-5-7-12(8-6-11)18-14(20)19-13-9-21-10-13/h5-8,13H,9-10H2,1-4H3,(H2,18,19,20)
InChI Key:
JOLXTHTVVLCDLV-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1COC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.175g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.18g/mol
Monoisotopic Mass:
318.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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