Name: 5,7-dichloro-2-(4-bromomethylphenyl)benzoxazole
SMILES:
Clc1cc(Cl)c2oc(-c3ccc(CBr)cc3)nc2c1Molecular Processing
Molecular formula
C14H8BrCl2NO
Molecular weight
357.03
Exact mass
354.9166
XLogP
5.7
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
82.1
Supplementary Information
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