Name: 2-(2-bromo-ethyl)-5-phenoxymethyl-2H-pyrazole-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc(COc2ccccc2)nn1CCBrMolecular Processing
Molecular formula
C15H17BrN2O3
Molecular weight
353.22
Exact mass
352.0423
XLogP
3.03
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
82.75
Supplementary Information
Details werden geladen…
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