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Basic information
- CAS
17417-10-6- Standard SMILES
CN(C)c1ccc([N+](=O)[O-])cc1C#N- InChIKey
UJNXNPZZNZXXJN-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947653
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-5-nitrobenzonitrile
- IUPAC
- 2-(dimethylamino)-5-nitrobenzonitrile
Names & synonyms
2-(dimethylamino)-5-nitrobenzonitrile17417-10-6RefChem:253827Tucatinib Impurity 48Oprea1_240296SCHEMBL6279411UJNXNPZZNZXXJN-UHFFFAOYSA-NDTXSID8012865982-dimethylamino-5-nitrobenzonitrileAKOS0005925012-(dimethylamino)-5-nitro-benzonitrileAG-690/11214023
Database identifiers
- CAS
17417-10-6- PubChem CID
- 3109742
- DTXSID
DTXSID801286598
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
Related reactions
2 records
Compound notes
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