N-(1,1-Dimethyl-2-propynyl)-4-nitrobenzamide
Basic information
- CAS
39098-01-6- Standard SMILES
C#CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
PLZZIKVWAJMQPK-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- N-(1,1-Dimethyl-2-propynyl)-4-nitrobenzamide
- IUPAC
- N-(2-methylbut-3-yn-2-yl)-4-nitrobenzamide
Names & synonyms
N-(1,1-DIMETHYL-2-PROPYNYL)-4-NITROBENZAMIDE39098-01-6N-(2-methylbut-3-yn-2-yl)-4-nitrobenzamideSCHEMBL29082695DTXSID70192340AKOS013322442
Database identifiers
- CAS
39098-01-6- PubChem CID
- 38216
- DTXSID
DTXSID70192340- Nikkaji
- J1.619.406I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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