Ammonium, (3,5-dihydroxyphenyl)trimethyl-, bromide
Basic information
- CAS
66941-36-4- Standard SMILES
C[N+](C)(C)c1cc(O)cc(O)c1.[Br-]- InChIKey
LLUIZIASKGZXHT-UHFFFAOYSA-N- Molecular formula
- C9H14BrNO2
- Average molar mass
- 248.12 g/mol
- Monoisotopic mass
- 247.02079
Names & identifiers
- Preferred name
- Ammonium, (3,5-dihydroxyphenyl)trimethyl-, bromide
- IUPAC
- (3,5-dihydroxyphenyl)-trimethylazanium bromide
Names & synonyms
66941-36-4AMMONIUM, (3,5-DIHYDROXYPHENYL)TRIMETHYL-, BROMIDERefChem:1076740(3,5-Dihydroxyphenyl)trimethylammonium bromideRo 2-4313
Database identifiers
- CAS
66941-36-4- PubChem CID
- 48498
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
- 143
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Compound notes
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