Basic information
- CAS
3686-72-4- Standard SMILES
CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccc(S(C)(=O)=O)cc2)cc1- InChIKey
NTOUTGFXPUCTLK-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2NO5S
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 415.0047991
Names & identifiers
- Preferred name
- Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide
- IUPAC
- [4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate
Names & synonyms
3686-72-4Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilideM & B 6233BRN 2678614DTXSID30190347p-(Methylsulfonyl)benzoic acid ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilideRefChem:327848DTXCID40112838[4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoateorb1986400AKOS040750773T30406
Show more names
4-(2,2-Dichloro-N-methylacetamido)phenyl 4-(methanesulfonyl)benzoate
Database identifiers
- CAS
3686-72-4- PubChem CID
- 19384
- DTXSID
DTXSID30190347
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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