Name: 3-(1-methyl-3-nitro-4-pyrazolyl)-acrylic acid chloride
SMILES:
Cn1cc(C=CC(=O)Cl)c([N+](=O)[O-])n1Molecular Processing
Molecular formula
C7H6ClN3O3
Molecular weight
215.6
Exact mass
215.0098
XLogP
1.11
TPSA
78.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
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
0.143
Molar refractivity
49.76
Supplementary Information
Details werden geladen…
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