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Home > Boronic Acids > 874301-63-0
874301-63-0 | 1-(4-Methoxyphenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874301-63-0 Catalog No: AG004FYJ MDL No:MFCD20231466
Product Description
Catalog Number:
AG004FYJ
Chemical Name:
1-(4-Methoxyphenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874301-63-0
Molecular Formula:
C20H25BN2O4
Molecular Weight:
368.2345
MDL Number:
MFCD20231466
IUPAC Name:
1-(4-methoxyphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C20H25BN2O4/c1-19(2)20(3,4)27-21(26-19)14-7-6-8-16(13-14)23-18(24)22-15-9-11-17(25-5)12-10-15/h6-13H,1-5H3,(H2,22,23,24)
InChI Key:
DCFYSTOGYDLERQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.191g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.24g/mol
Monoisotopic Mass:
368.191g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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