Basic information
- CAS
1246816-42-1- Standard SMILES
[2H]C([2H])([2H])c1cccc([N+](=O)[O-])c1N- InChIKey
FCMRHMPITHLLLA-FIBGUPNXSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 155.17 g/mol
- Monoisotopic mass
- 155.07740774
Names & identifiers
- Preferred name
- 2-Methyl-6-nitroaniline-d3
- IUPAC
- 2-nitro-6-(trideuteriomethyl)aniline
Names & synonyms
2-Methyl-6-nitroaniline-d31246816-42-1DTXSID8013013062-(Methyl-d3)-6-nitrobenzenamine2-(~2~H_3_)Methyl-6-nitroaniline
Database identifiers
- CAS
1246816-42-1- PubChem CID
- 71750488
- DTXSID
DTXSID801301306
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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