2-[(2-Chloroethyl)sulfanyl]-N-(4-nitrophenyl)acetamide
Basic information
- CAS
90794-76-6- Standard SMILES
O=C(CSCCCl)Nc1ccc([N+](=O)[O-])cc1- InChIKey
WHPZUWCDDXDCSK-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O3S
- Average molar mass
- 274.72 g/mol
- Monoisotopic mass
- 274.0178911
Names & identifiers
- Preferred name
- 2-[(2-Chloroethyl)sulfanyl]-N-(4-nitrophenyl)acetamide
- IUPAC
- 2-(2-chloroethylsulfanyl)-N-(4-nitrophenyl)acetamide
Names & synonyms
90794-76-6NSC588382-[(2-CHLOROETHYL)SULFANYL]-N-(4-NITROPHENYL)ACETAMIDEDTXSID20920155NSC-58838
Database identifiers
- CAS
90794-76-6- PubChem CID
- 246196
- DTXSID
DTXSID20920155
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
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Compound notes
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