C1OC2=C(C=CC(=C2F)F)NO1
Name: 5,6-difluoro-1H-2,4,1-benzodioxazine
SMILES: C1OC2=C(C=CC(=C2F)F)NO1

Molecular Processing

Molecular formula
C7H5F2NO2
Molecular weight
173.12
Exact mass
173.0288
XLogP
1.66
TPSA
30.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
36.56

Supplementary Information

InChIKey: SGTTURQCMNPYDY-UHFFFAOYSA-N
Synonyme
SCHEMBL6576963,4-difluoromethylenedioxyanilineSGTTURQCMNPYDY-UHFFFAOYSA-N
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