2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
Basic information
- CAS
66941-35-3- Standard SMILES
C[N+](C)(C)c1ccc(O)c(O)c1.[Br-]- InChIKey
RBWFGZFIVSWEDG-UHFFFAOYSA-N- Molecular formula
- C9H14BrNO2
- Average molar mass
- 248.12 g/mol
- Monoisotopic mass
- 247.02079
Names & identifiers
- Preferred name
- 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
- IUPAC
- (3,4-dihydroxyphenyl)-trimethylazanium bromide
Names & synonyms
66941-35-3DTXSID309856592-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)RefChem:1063384DTXCID001412850(3,4-Dihydroxyphenyl)trimethylammonium bromideRo 2-4263AMMONIUM, (3,4-DIHYDROXYPHENYL)TRIMETHYL-, BROMIDE
Database identifiers
- CAS
66941-35-3- PubChem CID
- 48496
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
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Compound notes
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