Acetohydroxamic acid, 2-(3-bromo-4-butoxyphenyl)-
Basic information
- CAS
15560-64-2- Standard SMILES
CCCCOc1ccc(CC(=O)NO)cc1Br- InChIKey
LOKRZPSRQFVRBE-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO3
- Average molar mass
- 302.16 g/mol
- Monoisotopic mass
- 301.03136
Names & identifiers
- Preferred name
- Acetohydroxamic acid, 2-(3-bromo-4-butoxyphenyl)-
- IUPAC
- 2-(3-bromo-4-butoxyphenyl)-N-hydroxyacetamide
- English name
- 2-(3-Bromo-4-butoxyphenyl)acetohydroxamic acid
- Molecular formula
- C12H16BrNO3
- Molecular weight
- 302.16
Names & synonyms
15560-64-2BRN 2863287ACETOHYDROXAMIC ACID, 2-(3-BROMO-4-BUTOXYPHENYL)-2-(3-Bromo-4-butoxyphenyl)acetohydroxamic acidDTXSID00165926RefChem:316777DTXCID50884172-(3-bromo-4-butoxyphenyl)-N-hydroxyacetamideBenzeneacetamide, 3-bromo-4-butoxy-N-hydroxy-
Database identifiers
- CAS
15560-64-2- PubChem CID
- 27384
- DTXSID
DTXSID00165926- Nikkaji
- J55.159G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 9.06 · 9.06±0.20(Predicted)
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Compound notes
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