Basic information
- CAS
15687-05-5- Standard SMILES
CC(=O)Nc1ccc(OC(O)C(Cl)(Cl)Cl)cc1- InChIKey
NFZJQAPVHJPJMD-UHFFFAOYSA-N- Molecular formula
- C10H10Cl3NO3
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 296.972626
Overview
structure given in first source
Names & identifiers
- Preferred name
- Chloracetadol
- IUPAC
- N-[4-(2,2,2-trichloro-1-hydroxyethoxy)phenyl]acetamide
- English name
- cloracetadol
- Molecular formula
- C10H10Cl3NO3
- Molecular weight
- 298.55
Names & synonyms
Chloracetadol4-acetylamino-1-phenoxy-2,2,2-trichloroethanolAcetamide, N-(4-(2,2,2-trichloro-1-hydroxyethoxy)phenyl)-RefChem:918434Cloracetadol15687-05-5N-[4-(2,2,2-trichloro-1-hydroxyethoxy)phenyl]acetamide41Z22TQD48CloracetadoloCloracetadolumProcetamylCloracetadolo [DCIT]
Show more names
Cloracetodol4'-(2,2,2-Trichloro-1-hydroxyethoxy)acetanilideAcetamide, N-[4-(2,2,2-trichloro-1-hydroxyethoxy)phenyl]-
Cloracetadol [INN:DCF]Cloracetadolum [INN-Latin]UNII-41Z22TQD48EINECS 239-776-2CLORACETADOL [INN]4'-(2,2,2-Trichlor-1-hydroxyethoxy)acetanilidCLORACETADOL [MART.]orb2815458
Database identifiers
- CAS
15687-05-5- PubChem CID
- 71685
- DTXSID
DTXSID20864621- ChEMBL
CHEMBL2104601- UNII
- 41Z22TQD48
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 159 · 159-160 °C(Solv: acetone (67-64-1); hexane (110-54-3))
- Boiling point
- 467 · 467.0±45.0 °C(Predicted)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
- pka
- 10.39 · 10.39±0.20(Predicted)
- FDA UNII
- 41 Z22TQD48 · 41Z22TQD48
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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