الاسم: Ethyl 4-bromo-1-(oxan-2-yl)-1H-pyrazole-3-carboxylate
SMILES:
CCOC(=O)c1nn(C2CCCCO2)cc1BrMolecular Processing
Molecular formula
C11H15BrN2O3
Molecular weight
303.16
Exact mass
302.0266
XLogP
2.52
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
64.72
Supplementary Information
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