Selenocyanic acid, 4-nitrophenyl ester
Basic information
- CAS
19188-18-2- Standard SMILES
N#C[Se]c1ccc([N+](=O)[O-])cc1- InChIKey
LYYFVURGFMABJL-UHFFFAOYSA-N- Molecular formula
- C7H4N2O2Se
- Average molar mass
- 227.09 g/mol
- Monoisotopic mass
- 227.9438
Names & identifiers
- Preferred name
- Selenocyanic acid, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) selenocyanate
- English name
- Selenocyanic acid 4-nitrophenyl ester
- Molecular formula
- C7H4N2O2Se
- Molecular weight
- 227.08
Names & synonyms
19188-18-2Selenocyanic acid, p-nitrophenyl esterDTXSID30172729Selenocyanic acid, 4-nitrophenyl esterRefChem:1098437DTXCID3095220p-Nitrophenyl selenocyanate(4-nitrophenyl) selenocyanateSelenocyanic acid 4-nitrophenyl esterBRN 18703554-nitrophenyl selenocyanate4-06-00-01791 (Beilstein Handbook Reference)
Show more names
(4-Nitrophenyl)selenocyanateSelenocyanic acid=4-nitrophenyl ester
1-Nitro-4-selenocyanatobenzeneSCHEMBL9497339SCHEMBL9497345
Database identifiers
- CAS
19188-18-2- PubChem CID
- 87955
- DTXSID
DTXSID30172729- Nikkaji
- J36.465G
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 135 · 135-136 °C
- Boiling point
- 344.3 · 344.3±44.0 °C(Predicted)
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Related reactions
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Compound notes
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