C1CCC2=C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)F
CAS: 59280-72-7
Nombre: 2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILES: C1CCC2=C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)F

Molecular Processing

Molecular formula
C14H11ClFNO2
Molecular weight
279.7
Exact mass
279.0462
XLogP
3.22
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
69.4

Supplementary Information

InChIKey: ORFCGRZEOCPJEX-UHFFFAOYSA-N
Sinónimos
59280-72-72-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1h-isoindole-1,3(2h)-dione2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dioneCHEMBL2269736SCHEMBL10459339SCHEMBL30566777DTXSID80974715ORFCGRZEOCPJEX-UHFFFAOYSA-N2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-N-(2-fluoro-4-chlorophenyl)-3,4,5,6-tetrahydrophthalimideN-(4-chloro-2-fluorophenyl)-1-cyclohexene-1,2-dicarboximide2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2 H-isoindole-1,3-dione2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3dione2-(4-chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1,3-dione
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