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Home > Boronic Acids > 874298-21-2
874298-21-2 | 1-(4-Methoxybenzyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874298-21-2 Catalog No: AG004MGO MDL No:MFCD09027293
Product Description
Catalog Number:
AG004MGO
Chemical Name:
1-(4-Methoxybenzyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874298-21-2
Molecular Formula:
C21H27BN2O4
Molecular Weight:
382.2611
MDL Number:
MFCD09027293
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C21H27BN2O4/c1-20(2)21(3,4)28-22(27-20)16-8-10-17(11-9-16)24-19(25)23-14-15-6-12-18(26-5)13-7-15/h6-13H,14H2,1-5H3,(H2,23,24,25)
InChI Key:
OKFBGKHVFVDLEJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.206g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.267g/mol
Monoisotopic Mass:
382.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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