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Home > Boronic Acids > 796967-18-5
796967-18-5 | 1-(2-Fluoro-5-methylphenyl);-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);urea
CAS No: 796967-18-5 Catalog No: AG005798 MDL No:MFCD16877441
Product Description
Catalog Number:
AG005798
Chemical Name:
1-(2-Fluoro-5-methylphenyl);-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);urea
CAS Number:
796967-18-5
Molecular Formula:
C20H24BFN2O3
Molecular Weight:
370.2256
MDL Number:
MFCD16877441
IUPAC Name:
1-(2-fluoro-5-methylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C20H24BFN2O3/c1-13-6-11-16(22)17(12-13)24-18(25)23-15-9-7-14(8-10-15)21-26-19(2,3)20(4,5)27-21/h6-12H,1-5H3,(H2,23,24,25)
InChI Key:
UXOFPHPAEAVMKW-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.186g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.231g/mol
Monoisotopic Mass:
370.186g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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