Naphthalene-1-carboxylic acid (2,2,2-trichloro-1-hydroxy-ethyl)-amide
Basic information
- CAS
132858-96-9- Standard SMILES
O=C(NC(O)C(Cl)(Cl)Cl)c1cccc2ccccc12- InChIKey
WXIKYOMTAQBOKW-UHFFFAOYSA-N- Molecular formula
- C13H10Cl3NO2
- Average molar mass
- 318.6 g/mol
- Monoisotopic mass
- 316.977712
Names & identifiers
- Preferred name
- Naphthalene-1-carboxylic acid (2,2,2-trichloro-1-hydroxy-ethyl)-amide
- IUPAC
- N-(2,2,2-trichloro-1-hydroxyethyl)naphthalene-1-carboxamide
- English name
- Naphthalene-1-carboxylic acid (2,2,2-trichloro-1-hydroxy-ethyl)-amide
- Molecular formula
- C13H10Cl3NO2
- Molecular weight
- 318.58
Names & synonyms
AKOS024341639NAPHTHALENE-1-CARBOXYLIC ACID (2,2,2-TRICHLORO-1-HYDROXY-ETHYL)-AMIDE1-Naphthalenecarboxamide, N-(2,2,2-trichloro-1-hydroxyethyl)-
Database identifiers
- CAS
132858-96-9- PubChem CID
- 4336935
- EC Number
- 148-076-5
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 505.979 · 505.979±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.732 · 10.732±0.20(predicted)
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Compound notes
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