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Home > Boronic Acids > 874291-02-8
874291-02-8 | 1-Isopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874291-02-8 Catalog No: AG004FYP MDL No:MFCD08689517
Product Description
Catalog Number:
AG004FYP
Chemical Name:
1-Isopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874291-02-8
Molecular Formula:
C16H25BN2O3
Molecular Weight:
304.1923
MDL Number:
MFCD08689517
IUPAC Name:
1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C16H25BN2O3/c1-11(2)18-14(20)19-13-9-7-12(8-10-13)17-21-15(3,4)16(5,6)22-17/h7-11H,1-6H3,(H2,18,19,20)
InChI Key:
GMMSXWMQBQDLFH-UHFFFAOYSA-N
SMILES:
CC(NC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.196g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.197g/mol
Monoisotopic Mass:
304.196g/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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