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Home > Boronic Acids > 874298-98-3
874298-98-3 | 1,1-Dimethyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874298-98-3 Catalog No: AG00IEKJ MDL No:MFCD22494178
Product Description
Catalog Number:
AG00IEKJ
Chemical Name:
1,1-Dimethyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874298-98-3
Molecular Formula:
C15H23BN2O3
Molecular Weight:
290.1657
MDL Number:
MFCD22494178
IUPAC Name:
1,1-dimethyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-8-7-9-12(10-11)17-13(19)18(5)6/h7-10H,1-6H3,(H,17,19)
InChI Key:
VTGSDGDWFXRBFS-UHFFFAOYSA-N
SMILES:
CN(C(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.18g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.17g/mol
Monoisotopic Mass:
290.18g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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