1-Chloro-3-heptoxypropan-2-ol
Basic information
- CAS
42032-43-9- Standard SMILES
CCCCCCCOCC(O)CCl- InChIKey
MSRSFQYAPZAUNP-UHFFFAOYSA-N- Molecular formula
- C10H21ClO2
- Average molar mass
- 208.72 g/mol
- Monoisotopic mass
- 208.1230076
Names & identifiers
- Preferred name
- 1-Chloro-3-heptoxypropan-2-ol
- IUPAC
- 1-chloro-3-heptoxypropan-2-ol
Names & synonyms
42032-43-91-chloro-3-heptoxypropan-2-ol1-chloro-3-(heptyloxy)propan-2-olNSC86979NCIOpen2_005289DTXSID10293047NSC-86979
Database identifiers
- CAS
42032-43-9- PubChem CID
- 258207
- DTXSID
DTXSID10293047
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 98.9
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Compound notes
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