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Home > Boronic Acids > 874298-03-0
874298-03-0 | 1-(pyrimidin-2-yl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874298-03-0 Catalog No: AG01DX8P MDL No:
Product Description
Catalog Number:
AG01DX8P
Chemical Name:
1-(pyrimidin-2-yl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874298-03-0
Molecular Formula:
C17H21BN4O3
Molecular Weight:
340.1846
IUPAC Name:
1-pyrimidin-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C17H21BN4O3/c1-16(2)17(3,4)25-18(24-16)12-6-8-13(9-7-12)21-15(23)22-14-19-10-5-11-20-14/h5-11H,1-4H3,(H2,19,20,21,22,23)
InChI Key:
BQTOVEWOGGCEML-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncccn1)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.171g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.19g/mol
Monoisotopic Mass:
340.171g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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