2-Oxazolidinone, 3-(3-bromophenyl)-5-(2-propynyloxymethyl)-
Basic information
- CAS
23699-82-3- Standard SMILES
C#CCOCC1CN(c2cccc(Br)c2)C(=O)O1- InChIKey
KBVDHYMEDPWJLG-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO3
- Average molar mass
- 310.14 g/mol
- Monoisotopic mass
- 309.00006
Names & identifiers
- Preferred name
- 2-Oxazolidinone, 3-(3-bromophenyl)-5-(2-propynyloxymethyl)-
- IUPAC
- 3-(3-bromophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
- English name
- 3-(3-Bromophenyl)-5-[(2-propynyloxy)methyl]oxazolidin-2-one
- Molecular formula
- C13H12BrNO3
- Molecular weight
- 310.14
Names & synonyms
23699-82-3BRN 05429393-(3-Bromophenyl)-5-(2-propynyloxymethyl)-2-oxazolidinone2-Oxazolidinone, 3-(3-bromophenyl)-5-(2-propynyloxymethyl)-RefChem:264629DTXSID709465023-(3-Bromophenyl)-5-[(2-propynyloxy)methyl]oxazolidin-2-one3-(3-Bromophenyl)-5-{[(prop-2-yn-1-yl)oxy]methyl}-1,3-oxazolidin-2-one3-(3-bromo-phenyl)-5-prop-2-ynyloxymethyl-oxazolidin-2-one2-Oxazolidinone, 3-(3-bromophenyl)-5-[(2-propyn-1-yloxy)methyl]-
Database identifiers
- CAS
23699-82-3- PubChem CID
- 211873
- DTXSID
DTXSID70946502- Nikkaji
- J42.630J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 401.9 · 401.9±25.0 °C(Predicted)
- Density
- 1.488 · 1.488±0.06 g/cm3(Predicted)
- pka
- -1.54 · -1.54±0.40(Predicted)
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Compound notes
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