O=c1[nH]c2cc(Cl)cc([N+](=O)[O-])c2o1
Nom: 5-chloro-7-nitro-1,3-benzoxazol-2(3H)-one
SMILES: O=c1[nH]c2cc(Cl)cc([N+](=O)[O-])c2o1

Molecular Processing

Molecular formula
C7H3ClN2O4
Molecular weight
214.56
Exact mass
213.9781
XLogP
1.68
TPSA
89.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.5

Supplementary Information

Récupération des détails…

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