Basic information
- CAS
1601-46-3- Standard SMILES
N#COc1ccc(Cl)cc1Cl- InChIKey
BRBXNVQANQPNPP-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO
- Average molar mass
- 188.01 g/mol
- Monoisotopic mass
- 186.9591691
Names & identifiers
- Preferred name
- 2,4-Dichlorophenyl cyanate
- IUPAC
- (2,4-dichlorophenyl) cyanate
- English name
- Cyanic acid, 2,4-dichlorophenyl ester
- Molecular formula
- C7H3Cl2NO
- Molecular weight
- 188.01
Names & synonyms
2,4-Dichlorophenyl cyanate1601-46-3(2,4-dichlorophenyl) cyanateCyanic acid, 2,4-dichlorophenyl esterSCHEMBL9351955DTXSID605382532,4-Dichloro-1-cyanatobenzene
Database identifiers
- CAS
1601-46-3- PubChem CID
- 13360522
- DTXSID
DTXSID60538253
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 57 · 57-58.8 °C
- Boiling point
- 249 · 249.0±50.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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