C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O
CAS: 89-40-7
Name: 5-nitroisoindole-1,3-dione
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O

Molecular Processing

Molecular formula
C8H4N2O4
Molecular weight
192.13
Exact mass
192.0171
XLogP
0.48
TPSA
89.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
44.89

Supplementary Information

InChIKey: ANYWGXDASKQYAD-UHFFFAOYSA-N
Synonyme
4-NITROPHTHALIMIDE89-40-7Phthalimide, 4-nitro-5-NitrophthalimideDTXSID102577626NA19UI3UNSC-5394DTXCID405776RefChem:100145201-905-55-nitroisoindoline-1,3-dione5-Nitro-1H-isoindole-1,3(2H)-dione1H-Isoindole-1,3(2H)-dione, 5-nitro-5-nitroisoindole-1,3-dione5-nitro-2,3-dihydro-1H-isoindole-1,3-dioneMFCD000058845-nitro-2H-benzo[c]azoline-1,3-dioneCCRIS 4685NSC 5394EINECS 201-905-5BRN 0180224UNII-26NA19UI3UAI3-007014-nitro-phthalimide5-nitro-phthalimide4-Nitrophthalimide, 98%Oprea1_8664515-21-11-00158 (Beilstein Handbook Reference)1H-Isoindole-1, 5-nitro-SCHEMBL151957
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