Basic information
- CAS
63499-60-5- Standard SMILES
Cc1ccc(C(=O)NC(O)C(Cl)(Cl)Cl)cc1- InChIKey
ZRESQQPBIQLACV-UHFFFAOYSA-N- Molecular formula
- C10H10Cl3NO2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 280.9777116
Names & identifiers
- Preferred name
- 4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
- IUPAC
- 4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
Names & synonyms
4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide63499-60-5DTXSID90392087RefChem:294454DTXCID10342948Benzamide, 4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)-F0020-0740MLS000722180SCHEMBL4679490CHEMBL1588017ZRESQQPBIQLACV-UHFFFAOYSA-NHMS2560O11
Show more names
SMSSF-0058105AKOS002662695AKOS016042809SMR000235885N-(2,2,2-trichloro-1-hydroxyethyl)-p-toluamideSR-01000004746SR-01000004746-1
Database identifiers
- CAS
63499-60-5- PubChem CID
- 3392664
- DTXSID
DTXSID90392087- ChEMBL
CHEMBL1588017- Nikkaji
- J1.511.348K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
3 records
Compound notes
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