Basic information
- CAS
5850-48-6- Standard SMILES
O=C(NC1CCSC1=O)c1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
YENJNDNICGYHFU-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O4S
- Average molar mass
- 300.72 g/mol
- Monoisotopic mass
- 299.9971556
Names & identifiers
- Preferred name
- 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide
- IUPAC
- 4-chloro-2-nitro-N-(2-oxothiolan-3-yl)benzamide
Names & synonyms
4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide4-chloro-2-nitro-N-(2-oxothiolan-3-yl)benzamide5850-48-6Oprea1_382205DTXSID40974059STK049358AKOS000644555AKOS022087057ST50258217AG-690/154317094-chloro-2-nitro-N-(2-oxotetrahydro-3-thienyl)benzamide4-Chloro-2-nitro-N-(2-oxothiolan-3-yl)benzene-1-carboximidic acid
Show more names
(4-chloro-2-nitrophenyl)-N-(2-oxo(3-3,4,5-trihydrothienyl))carboxamide
Database identifiers
- CAS
5850-48-6- PubChem CID
- 3136348
- DTXSID
DTXSID40974059
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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