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Home > Boronic Acids > 874299-07-7
874299-07-7 | 1-Butyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);urea
CAS No: 874299-07-7 Catalog No: AG004MGN MDL No:MFCD06659931
Product Description
Catalog Number:
AG004MGN
Chemical Name:
1-Butyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);urea
CAS Number:
874299-07-7
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
MDL Number:
MFCD06659931
IUPAC Name:
1-butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C17H27BN2O3/c1-6-7-11-19-15(21)20-14-10-8-9-13(12-14)18-22-16(2,3)17(4,5)23-18/h8-10,12H,6-7,11H2,1-5H3,(H2,19,20,21)
InChI Key:
DYBDTMCEAHKZHI-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.211g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.224g/mol
Monoisotopic Mass:
318.211g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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