Basic information
- CAS
3785-20-4- Standard SMILES
CC(=O)Nc1c(CCl)cccc1C(C)(C)C- InChIKey
MSERLYJDTDEOIE-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- Acetamide, 2-chloro-N-(2-(1,1-dimethylethyl)-6-methylphenyl)-
- IUPAC
- N-[2-tert-butyl-6-(chloromethyl)phenyl]acetamide
- English name
- 2-Chloro-N-(2-tert-butyl-6-methylphenyl)acetamide
- Molecular formula
- C13H18ClNO
- Molecular weight
- 239.74
Names & synonyms
Monsanto 316753785-20-42-Chloro-N-(2-methyl-6-tert-butylphenyl)acetamideCP 316752-tert-Butyl-6-methylchloroacetanilideBRN 2730032o-Acetotoluidide, 6'-tert-butyl-2-chloro-Acetamide, 2-chloro-N-(2-(1,1-dimethylethyl)-6-methylphenyl)-RefChem:314706Acetamide, 2-chloro-N-(2-(1,1-dimethylethyl)-6-methylphenyl)-(9CI)N-[2-tert-butyl-6-(chloromethyl)phenyl]acetamideSCHEMBL7217437
Show more names
CP-31675Acetamide, 2-chloro-N-[2-(1,1-dimethylethyl)-6-methylphenyl]-
2-CHLORO-N-(2-TERT-BUTYL-6-METHYLPHENYL)ACETAMIDEDTXSID80958878N-[2-tert-Butyl-6-(chloromethyl)phenyl]ethanimidic acid
Database identifiers
- CAS
3785-20-4- PubChem CID
- 19616
- DTXSID
DTXSID80958878
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 115 °C · 115°C
- Density
- 1.2084 · 1.2084 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Water Solubility
- 0.3 g/L · 0.3g/L(temperature not stated)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…