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Home > Boronic Acids > 1025708-31-9
1025708-31-9 | 2-Pyrimidinecarbonitrile, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1025708-31-9 Catalog No: AG0007RE MDL No:MFCD08669562
Product Description
Catalog Number:
AG0007RE
Chemical Name:
2-Pyrimidinecarbonitrile, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1025708-31-9
Molecular Formula:
C11H14BN3O2
Molecular Weight:
231.0588
MDL Number:
MFCD08669562
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile
InChI:
InChI=1S/C11H14BN3O2/c1-10(2)11(3,4)17-12(16-10)8-6-14-9(5-13)15-7-8/h6-7H,1-4H3
InChI Key:
KJQVHJSIJTVCMN-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.062g/mol
Monoisotopic Mass:
231.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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