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Home > Boronic Acids > 1201657-84-2
1201657-84-2 | 3-Ureidophenylboronic acid pincol ester
CAS No: 1201657-84-2 Catalog No: AG009483 MDL No:MFCD18383950
Product Description
Catalog Number:
AG009483
Chemical Name:
3-Ureidophenylboronic acid pincol ester
CAS Number:
1201657-84-2
Molecular Formula:
C13H19BN2O3
Molecular Weight:
262.1126
MDL Number:
MFCD18383950
IUPAC Name:
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)9-6-5-7-10(8-9)16-11(15)17/h5-8H,1-4H3,(H3,15,16,17)
InChI Key:
UJZINFWQGAGUNY-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.149g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.116g/mol
Monoisotopic Mass:
262.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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