Basic information
- CAS
6803-43-6- Standard SMILES
N#CSc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
BLMPTCDTQNCFJU-UHFFFAOYSA-N- Molecular formula
- C7H3ClN2O2S
- Average molar mass
- 214.63 g/mol
- Monoisotopic mass
- 213.9603762
Names & identifiers
- Preferred name
- Thiocyanic acid, 4-chloro-2-nitrophenyl ester
- IUPAC
- (4-chloro-2-nitrophenyl) thiocyanate
- English name
- Thiocyanic acid 4-chloro-2-nitrophenyl ester
- Molecular formula
- C7H3ClN2O2S
- Molecular weight
- 214.63
Names & synonyms
6803-43-6Thiocyanic acid, 4-chloro-2-nitrophenyl esterBRN 25607254-Chloro-2-nitrophenylthiocyanate2-Nitro-4-chlor-phenyl-thiocyanat [German]2-Nitro-4-chlor-phenyl-thiocyanatDTXSID902182182-06-00-00313 (Beilstein Handbook Reference)RefChem:385131DTXCID101407094-CHLORO-2-NITRO-1-THIOCYANATOBENZENE4-chloro-2-nitrophenyl thiocyanate
Show more names
THIOCYANIC ACID 4-CHLORO-2-NITROPHENYL ESTERAB06638AJ-333/25006163
Database identifiers
- CAS
6803-43-6- PubChem CID
- 201774
- DTXSID
DTXSID90218218- Nikkaji
- J48.837B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…