3,4-dichloro-N-(3-hydroxypropyl)benzamide
Basic information
- CAS
892147-69-2- Standard SMILES
O=C(NCCCO)c1ccc(Cl)c(Cl)c1- InChIKey
JMIQJSDJDHUCSF-UHFFFAOYSA-N- Molecular formula
- C10H11Cl2NO2
- Average molar mass
- 248.1 g/mol
- Monoisotopic mass
- 247.016684
Names & identifiers
- Preferred name
- 3,4-dichloro-N-(3-hydroxypropyl)benzamide
- IUPAC
- 3,4-dichloro-N-(3-hydroxypropyl)benzamide
- English name
- 3,4-Dichloro-N-(3-hydroxypropyl)benzamide
- Molecular formula
- C10H11Cl2NO2
- Molecular weight
- 248.11
Names & synonyms
3,4-dichloro-N-(3-hydroxypropyl)benzamideSCHEMBL6289501SCHEMBL6289503AKOS008974226Z68225261Benzamide, 3,4-dichloro-N-(3-hydroxypropyl)-
Database identifiers
- CAS
892147-69-2- PubChem CID
- 4452334
- EC Number
- 114-716-7
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 407.783 · 407.783±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.331 · 13.331±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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