Benzonitrile, 4-[(6-hydrazinyl-2-methyl-4-pyrimidinyl)oxy]-3-nitro-
Basic information
- CAS
1499061-07-2- Standard SMILES
Cc1nc(NN)cc(Oc2ccc(C#N)cc2[N+](=O)[O-])n1- InChIKey
UCUHUBKTXAXWIA-UHFFFAOYSA-N- Molecular formula
- C12H10N6O3
- Average molar mass
- 286.25 g/mol
- Monoisotopic mass
- 286.0814382
Names & identifiers
- Preferred name
- Benzonitrile, 4-[(6-hydrazinyl-2-methyl-4-pyrimidinyl)oxy]-3-nitro-
- IUPAC
- 4-(6-hydrazinyl-2-methylpyrimidin-4-yl)oxy-3-nitrobenzonitrile
Names & synonyms
DTXSID101162268AKOS019489762Benzonitrile, 4-[(6-hydrazinyl-2-methyl-4-pyrimidinyl)oxy]-3-nitro-4-[(6-Hydrazinylidene-2-methyl-3,6-dihydropyrimidin-4-yl)oxy]-3-nitrobenzonitrile1499061-07-2
Database identifiers
- CAS
1499061-07-2- PubChem CID
- 80920957
- DTXSID
DTXSID101162268
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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