C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)[N+](=O)[O-]
Nombre: 2-(4-chloro-2-fluoro-5-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILES: C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)[N+](=O)[O-]

Molecular Processing

Molecular formula
C14H10ClFN2O4
Molecular weight
324.69
Exact mass
324.0313
XLogP
3.13
TPSA
80.52
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
76.05

Supplementary Information

InChIKey: PLTMBXHQMSOBIJ-UHFFFAOYSA-N
Sinónimos
SCHEMBL10537797SCHEMBL30566757PLTMBXHQMSOBIJ-UHFFFAOYSA-NN-(4-chloro-2-fluoro-5-nitrophenyl)-3,4,5,6-tetrahydrophthalimideN-(4-chloro-2-fluoro-5-nitrophenyl)-1-cyclohexene-1,2-dicarboximide
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