Basic information
- Standard SMILES
CC#Cc1ccc([N+](=O)[O-])cc1N- InChIKey
UBSRIRXDWRNDLS-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 5-Nitro-2-prop-1-ynyl-phenylamine
- IUPAC
- 5-nitro-2-prop-1-ynylaniline
Names & synonyms
SCHEMBL1629852UBSRIRXDWRNDLS-UHFFFAOYSA-N5-nitro-2-prop-1-ynyl-phenylamine
Database identifiers
- PubChem CID
- 67100740
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 258
Related reactions
3 records
Linked notes
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