Name: N-isopropyl-3,4-dimethyl-2,6-dinitroaniline
SMILES:
Cc1cc([N+](=O)[O-])c(NC(C)C)c([N+](=O)[O-])c1CMolecular Processing
Molecular formula
C11H15N3O4
Molecular weight
253.26
Exact mass
253.1063
XLogP
2.94
TPSA
98.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
67.98
Supplementary Information
Details werden geladen…
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