Basic information
- CAS
66941-42-2- Standard SMILES
C[N+](C)(Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1.[Cl-]- InChIKey
QXWOSXXRWXDETA-UHFFFAOYSA-N- Molecular formula
- C15H17ClN2O3
- Average molar mass
- 308.76 g/mol
- Monoisotopic mass
- 308.0927701
Names & identifiers
- Preferred name
- Ammonium, dimethyl(3-hydroxyphenyl)(p-nitrobenzyl)-, chloride
- IUPAC
- (3-hydroxyphenyl)-dimethyl-[(4-nitrophenyl)methyl]azanium chloride
Names & synonyms
Dimethyl(3-hydroxyphenyl)(p-nitrobenzyl)ammonium chlorideRo 2-435766941-42-2AMMONIUM, DIMETHYL(3-HYDROXYPHENYL)(p-NITROBENZYL)-, CHLORIDERefChem:319326
Database identifiers
- CAS
66941-42-2- PubChem CID
- 48510
Properties
Computed structural properties
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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