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Home > Boronic Acids > 874298-11-0
874298-11-0 | 1,1-Diisopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874298-11-0 Catalog No: AG01DTQM MDL No:
Product Description
Catalog Number:
AG01DTQM
Chemical Name:
1,1-Diisopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874298-11-0
Molecular Formula:
C19H31BN2O3
Molecular Weight:
346.2720
IUPAC Name:
1,1-di(propan-2-yl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C19H31BN2O3/c1-13(2)22(14(3)4)17(23)21-16-11-9-15(10-12-16)20-24-18(5,6)19(7,8)25-20/h9-14H,1-8H3,(H,21,23)
InChI Key:
PZWCVRDJNOELRF-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(C)C)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.243g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.278g/mol
Monoisotopic Mass:
346.243g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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