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Home > Boronic Acids > 874302-00-8
874302-00-8 | 1-(4-Chlorophenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874302-00-8 Catalog No: AG004J00 MDL No:MFCD20231476
Product Description
Catalog Number:
AG004J00
Chemical Name:
1-(4-Chlorophenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874302-00-8
Molecular Formula:
C19H22BClN2O3
Molecular Weight:
372.6536
MDL Number:
MFCD20231476
IUPAC Name:
1-(4-chlorophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C19H22BClN2O3/c1-18(2)19(3,4)26-20(25-18)13-6-5-7-16(12-13)23-17(24)22-15-10-8-14(21)9-11-15/h5-12H,1-4H3,(H2,22,23,24)
InChI Key:
YLKLBLPBMZYOIU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.141g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.656g/mol
Monoisotopic Mass:
372.141g/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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