1-Chloro-3-(prop-2-en-1-yloxy)propan-2-yl formate
Basic information
- CAS
5460-47-9- Standard SMILES
C=CCOCC(CCl)OC=O- InChIKey
PUVRHVMRSWBFJV-UHFFFAOYSA-N- Molecular formula
- C7H11ClO3
- Average molar mass
- 178.61 g/mol
- Monoisotopic mass
- 178.0396719
Names & identifiers
- Preferred name
- 1-Chloro-3-(prop-2-en-1-yloxy)propan-2-yl formate
- IUPAC
- (1-chloro-3-prop-2-enoxypropan-2-yl) formate
Names & synonyms
5460-47-91-chloro-3-(prop-2-en-1-yloxy)propan-2-yl formateNSC21836DTXSID60281499NSC-218361-Chloro-3-[(prop-2-en-1-yl)oxy]propan-2-yl formate
Database identifiers
- CAS
5460-47-9- PubChem CID
- 228729
- DTXSID
DTXSID60281499
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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