Name: tert-butyl 4-nitro-1H-pyrazole-1-carboxylate
SMILES:
CC(C)(C)OC(=O)n1cc([N+](=O)[O-])cn1Molecular Processing
Molecular formula
C8H11N3O4
Molecular weight
213.19
Exact mass
213.075
XLogP
1.57
TPSA
87.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
15
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
0.5
Molar refractivity
50.51
Supplementary Information
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