Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)
Basic information
- CAS
17641-10-0- Standard SMILES
O=C(CCl)Nc1ccc(OC(=O)CCl)cc1- InChIKey
NCHAQEGVLDMYGR-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2NO3
- Average molar mass
- 262.09 g/mol
- Monoisotopic mass
- 260.9959485
Names & identifiers
- Preferred name
- Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)
- IUPAC
- [4-[(2-chloroacetyl)amino]phenyl] 2-chloroacetate
- English name
- Chloroacetic acid 4-[(chloroacetyl)amino]phenyl ester
- Molecular formula
- C10H9Cl2NO3
- Molecular weight
- 262.09
Names & synonyms
17641-10-0p-Chloroacetoxy-2-chloroacetanilideBRN 27401162-Chloro-4'-chloroacetoxyacetanilideAcetanilide, 2-chloro-4'-chloroacetoxy-ACETANILIDE, 2-CHLORO-4'-HYDROXY-, CHLOROACETATE (ester)2-13-00-00247 (Beilstein Handbook Reference)DTXSID00170131RefChem:315743DTXCID9092622[4-[(2-chloroacetyl)amino]phenyl] 2-chloroacetateChloroacetic acid 4-[(chloroacetyl)amino]phenyl ester
Show more names
[4-(2-chloroethanoylamino)phenyl] 2-chloroethanoate2-chloroacetic acid [4-[(2-chloroacetyl)amino]phenyl] esterAcetic acid, 2-chloro-, 4-[(2-chloroacetyl)amino]phenyl ester
4-(2-Chloroacetamido)phenyl 2-chloroacetate4-[(2-Chloroacetyl)amino]phenyl chloroacetateAKOS0159978064-(2-Chloroacetamido)phenyl chloroacetate
Database identifiers
- CAS
17641-10-0- PubChem CID
- 28669
- DTXSID
DTXSID00170131- Nikkaji
- J54.148F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 170 · 170-171 °C
- Boiling point
- 440 · 440.0±35.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- 11.94 · 11.94±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
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Compound notes
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