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Home > Boronic Acids > 874297-85-5
874297-85-5 | 1-(Furan-2-ylmethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874297-85-5 Catalog No: AG004MGP MDL No:MFCD09027292
Product Description
Catalog Number:
AG004MGP
Chemical Name:
1-(Furan-2-ylmethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874297-85-5
Molecular Formula:
C18H23BN2O4
Molecular Weight:
342.1972
MDL Number:
MFCD09027292
IUPAC Name:
1-(furan-2-ylmethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C18H23BN2O4/c1-17(2)18(3,4)25-19(24-17)13-7-9-14(10-8-13)21-16(22)20-12-15-6-5-11-23-15/h5-11H,12H2,1-4H3,(H2,20,21,22)
InChI Key:
DNWAWLFDNMFNSM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NCc1ccco1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.202g/mol
Monoisotopic Mass:
342.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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