Basic information
- CAS
3009-04-9- Standard SMILES
CCCCNC(=O)c1cccc(Cl)c1O- InChIKey
HABQHJCQMQOTGD-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO2
- Average molar mass
- 227.69 g/mol
- Monoisotopic mass
- 227.0713064
Names & identifiers
- Preferred name
- n-Butyl-3-chloro-2-hydroxybenzamide
- IUPAC
- N-butyl-3-chloro-2-hydroxybenzamide
- English name
- N-butyl-3-chlorosalicylamide
- Molecular formula
- C11H14ClNO2
- Molecular weight
- 227.69
Names & synonyms
n-butyl-3-chloro-2-hydroxybenzamide3009-04-9N-Butyl-3-chlorosalicylamideEINECS 221-126-4DTXSID00952499HABQHJCQMQOTGD-UHFFFAOYSA-NNS00048246H88825N-Butyl-3-chloro-2-hydroxybenzene-1-carboximidic acidBenzamide, N-butyl-3-chloro-2-hydroxy-
Database identifiers
- CAS
3009-04-9- PubChem CID
- 76369
- DTXSID
DTXSID00952499- EC Number
- 221-126-4
- Nikkaji
- J205.307A
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 211
Physicochemical properties
- Melting point
- 72 · 72-74 °C
- Boiling point
- 339.1 · 339.1±32.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 6.92 · 6.92±0.35(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…