Basic information
- CAS
35039-53-3- Standard SMILES
CNCc1cc([N+](=O)[O-])ccc1O- InChIKey
GBBPFSWFIBWIHC-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 2-[(Methylamino)methyl]-4-nitrophenol
- IUPAC
- 2-(methylaminomethyl)-4-nitrophenol
Names & synonyms
2-[(methylamino)methyl]-4-nitrophenol35039-53-32-((Methylamino)methyl)-4-nitrophenolNSC98789N-methyl-2-hydroxy-5-nitrobenzylamineNCIOpen2_001844SCHEMBL5170527DTXSID50294932NSC-98789AKOS009079884EN300-1845314
Database identifiers
- CAS
35039-53-3- PubChem CID
- 264013
- DTXSID
DTXSID50294932
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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