2-Chloro-1-cyanoethyl acetate
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Basic information
- CAS
6702-21-2- Standard SMILES
CC(=O)OC(C#N)CCl- InChIKey
SVTJDWONAAHYFA-UHFFFAOYSA-N- Molecular formula
- C5H6ClNO2
- Average molar mass
- 147.56 g/mol
- Monoisotopic mass
- 147.0087061
Names & identifiers
- Preferred name
- 2-Chloro-1-cyanoethyl acetate
- IUPAC
- (2-chloro-1-cyanoethyl) acetate
- English name
- 3-Chloro-2-acetyloxypropanenitrile
- Molecular weight
- 0
Names & synonyms
2-Chloro-1-cyanoethyl acetate6702-21-2Lactonitrile, 3-chloro-, acetateSCHEMBL8836087DTXSID303370782-Chloro-1-cyanoethyl acetate #SVTJDWONAAHYFA-UHFFFAOYSA-NAKOS0063852883-Chloro-2-acetyloxypropanenitrile
Database identifiers
- CAS
6702-21-2- PubChem CID
- 538394
- DTXSID
DTXSID30337078- Nikkaji
- J103.225I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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