2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic Acid
Basic information
- CAS
4748-68-9- Standard SMILES
O=C(O)c1ccccc1SCC(=NO)c1ccc([N+](=O)[O-])cc1- InChIKey
AGTBVLFTNFMDTG-UHFFFAOYSA-N- Molecular formula
- C15H12N2O5S
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.04669266
Names & identifiers
- Preferred name
- 2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic Acid
- IUPAC
- 2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic acid
Names & synonyms
4748-68-92-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic AcidOprea1_189106DTXSID403845532-{[2-(Hydroxyimino)-2-(4-nitrophenyl)ethyl]sulfanyl}benzoic acid
Database identifiers
- CAS
4748-68-9- PubChem CID
- 2807540
- DTXSID
DTXSID40384553
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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