Name: 7-bromo-3-(2,4-dichloro-phenyl)-2,6-dimethyl-pyrazolo[5,1-b]oxazole
SMILES:
Cc1nn2c(-c3ccc(Cl)cc3Cl)c(C)oc2c1BrMolecular Processing
Molecular formula
C13H9BrCl2N2O
Molecular weight
360.04
Exact mass
357.9275
XLogP
5.28
TPSA
30.44
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
80.09
Supplementary Information
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Involved in 4 reactions→