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Home > Boronic Acids > 1022092-33-6
1022092-33-6 | 1H-Pyrazole-1-propanenitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1022092-33-6 Catalog No: AG0006X1 MDL No:MFCD16660233
Product Description
Catalog Number:
AG0006X1
Chemical Name:
1H-Pyrazole-1-propanenitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1022092-33-6
Molecular Formula:
C12H18BN3O2
Molecular Weight:
247.1012
MDL Number:
MFCD16660233
IUPAC Name:
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile
InChI:
InChI=1S/C12H18BN3O2/c1-11(2)12(3,4)18-13(17-11)10-8-15-16(9-10)7-5-6-14/h8-9H,5,7H2,1-4H3
InChI Key:
LUKJAULGXVGMSP-UHFFFAOYSA-N
SMILES:
N#CCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.149g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.105g/mol
Monoisotopic Mass:
247.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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