Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide

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Basic information

CAS: 64047-38-7
Standard SMILES: C[N+](C)(C)c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1.[Br-]
InChIKey: IKDZDTRAALRDCV-UHFFFAOYSA-M
Molecular formula: C16H17BrN2O4
Average molar mass: 381.22 g/mol
Monoisotopic mass: 380.03717

Names & identifiers

Preferred name: Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide
IUPAC: trimethyl-[3-(2-nitrobenzoyl)oxyphenyl]azanium bromide

Names & synonyms

Ro 2-27483-(Nitrobenzoyloxy)phenyltrimethylammonium bromide64047-38-7Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromideRefChem:319134DTXSID70982223N,N,N-Trimethyl-3-[(2-nitrobenzoyl)oxy]anilinium bromide

Database identifiers

CAS: 64047-38-7
PubChem CID: 3048852
DTXSID: DTXSID70982223

Properties

Computed structural properties

Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 413

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Compound notes

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