Basic information
- CAS
42520-76-3- Standard SMILES
N#CC(=NO)c1ccc(Cl)s1- InChIKey
OYNBTUUDEASXIH-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2OS
- Average molar mass
- 186.62 g/mol
- Monoisotopic mass
- 185.9654616
Names & identifiers
- Preferred name
- 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-
- IUPAC
- 2-(5-chlorothiophen-2-yl)-2-hydroxyiminoacetonitrile
Names & synonyms
2-Thiopheneacetonitrile, 5-chloro-.alpha.-(hydroxyimino)-EINECS 255-866-442520-76-3DTXSID9068403RefChem:483758DTXCID00401272-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-OYNBTUUDEASXIH-UHFFFAOYSA-NNS00031200
Database identifiers
- CAS
42520-76-3- PubChem CID
- 170664
- DTXSID
DTXSID9068403- EC Number
- 255-866-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Thiopheneacetonitrile, 5-chloro-.alpha.-(hydroxyimino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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