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Home > Boronic Acids > 874302-03-1
874302-03-1 | 1-(3-Fluorophenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874302-03-1 Catalog No: AG004FYI MDL No:MFCD20231477
Product Description
Catalog Number:
AG004FYI
Chemical Name:
1-(3-Fluorophenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874302-03-1
Molecular Formula:
C19H22BFN2O3
Molecular Weight:
356.1990
MDL Number:
MFCD20231477
IUPAC Name:
1-(3-fluorophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C19H22BFN2O3/c1-18(2)19(3,4)26-20(25-18)13-7-5-9-15(11-13)22-17(24)23-16-10-6-8-14(21)12-16/h5-12H,1-4H3,(H2,22,23,24)
InChI Key:
BZCPINMTXBDIEP-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)F)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.171g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.204g/mol
Monoisotopic Mass:
356.171g/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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