Basic information
- CAS
30436-27-2- Standard SMILES
N#CCCOC(=O)Cl- InChIKey
UOVYYGAZYYVWHT-UHFFFAOYSA-N- Molecular formula
- C4H4ClNO2
- Average molar mass
- 133.53 g/mol
- Monoisotopic mass
- 132.9930561
Names & identifiers
- Preferred name
- Carbonochloridic acid, 2-cyanoethyl ester
- IUPAC
- 2-cyanoethyl carbonochloridate
Names & synonyms
30436-27-2Carbonochloridic acid, 2-cyanoethyl ester2-cyanoethyl carbonochloridateSCHEMBL2823036DTXSID80438105
Database identifiers
- CAS
30436-27-2- PubChem CID
- 10329331
- DTXSID
DTXSID80438105- Nikkaji
- J1.491.961I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 125
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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