C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NNC2=O
CAS: 3682-15-3
Nombre: 5-nitro-2,3-dihydrophthalazine-1,4-dione
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NNC2=O

Molecular Processing

Molecular formula
C8H5N3O4
Molecular weight
207.14
Exact mass
207.028
XLogP
0.12
TPSA
108.86
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
51.84

Supplementary Information

InChIKey: YVOBBFQJMOGQOU-UHFFFAOYSA-N
Sinónimos
5-nitro-2,3-dihydrophthalazine-1,4-dione1,4-Phthalazinedione, 2,3-dihydro-5-nitro-3-Nitro-phthalhydrazideNSC 942DTXSID7063130YVOBBFQJMOGQOU-UHFFFAOYSA-RefChem:417022DTXCID9039238814-745-1InChI=1/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)3682-15-33-Nitrophthalhydrazide3-Nitrophthalic HydrazideMFCD000068892,3-Dihydro-5-nitro-1,4-phthalazinedione5-nitrophthalhydrazide3-Nitrophthalic hydrazineNSC9422,3-Dihydro-5-Oprea1_2941495-nitro-1,2,3,4-tetrahydrophthalazine-1,4-dione3-Nitrophthalhydrazide, 98%5-Nitrophthalazine-1,4-diolSCHEMBL8939981, 2,3-dihydro-5-nitro-SCHEMBL30012694NSC-942RB3276SBB057789STK360023
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