CC1(C)OB(c2cnn(CCC#N)c2)OC1(C)C
Name: 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile
SMILES: CC1(C)OB(c2cnn(CCC#N)c2)OC1(C)C

Molecular Processing

Molecular formula
C12H18BN3O2
Molecular weight
247.11
Exact mass
247.1492
XLogP
1.1
TPSA
60.07
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
68.17

Supplementary Information

Details werden geladen…

An 14 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→