Nombre: 3-(3-bromophenyl)-1H-1,2,4-triazole
SMILES:
Brc1cccc(-c2nc[nH]n2)c1Molecular Processing
Molecular formula
C8H6BrN3
Molecular weight
224.06
Exact mass
222.9745
XLogP
2.23
TPSA
41.57
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
49.52
Supplementary Information
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