CS(=O)(=O)C1=NC=C(C=C1)OC2=C(C=C(C(=C2)[N+](=O)[O-])N)F
CAS: 859537-33-0
名称: 5-fluoro-4-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-nitroaniline
SMILES: CS(=O)(=O)C1=NC=C(C=C1)OC2=C(C=C(C(=C2)[N+](=O)[O-])N)F

Molecular Processing

Molecular formula
C12H10FN3O5S
Molecular weight
327.29
Exact mass
327.0325
XLogP
1.91
TPSA
125.42
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
74.89

Supplementary Information

InChIKey: KGOUFXVSXJBBER-UHFFFAOYSA-N
同義語
SCHEMBL2646047KGOUFXVSXJBBER-UHFFFAOYSA-NDTXSID6011617225-fluoro-4-(6-methanesulfonyl-pyridin-3-yloxy)-2-nitro-phenylamine859537-33-05-Fluoro-4-{[6-(methanesulfonyl)pyridin-3-yl]oxy}-2-nitroaniline5-Fluoro-4-[[6-(methylsulfonyl)-3-pyridinyl]oxy]-2-nitrobenzenamine
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