Basic information
- CAS
17641-12-2- Standard SMILES
CCOc1cccc(NC(=O)CCl)c1- InChIKey
JPMLSDRBYFMXLI-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- m-Acetophenetidide, 2-chloro-
- IUPAC
- 2-chloro-N-(3-ethoxyphenyl)acetamide
- English name
- 2-Chloro-N-(3-ethoxyphenyl)acetamide
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
17641-12-2m-ACETOPHENETIDIDE, 2-CHLORO-2-Chloro-m-acetophenetidideN-Chloroacetyl-m-phenetididem-Phenetidine, N-chloroacetyl-BRN 2693120DTXSID601701321-13-00-00133 (Beilstein Handbook Reference)RefChem:351475DTXCID40926232-chloro-N-(3-ethoxyphenyl)acetamidestarbld0012174
Show more names
Acetamide, 2-chloro-N-(3-ethoxyphenyl)-
orb1985736MFCD01673050STK895565AKOS002339215ST51066186T33146Z608582972
Database identifiers
- CAS
17641-12-2- PubChem CID
- 28670
- DTXSID
DTXSID60170132- Nikkaji
- J55.012D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 121 · 121-122.5 °C
- Boiling point
- 381 · 381.0±27.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 12.46 · 12.46±0.70(Predicted)
Chemistry & industry
Suppliers2 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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