(7-Chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol
Basic information
- CAS
1346447-14-0- Standard SMILES
OCc1c(Cl)cnc2c1OCCO2- InChIKey
YKVVXYYYNBHYTE-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO3
- Average molar mass
- 201.61 g/mol
- Monoisotopic mass
- 201.0192708
Names & identifiers
- Preferred name
- (7-Chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol
- IUPAC
- (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol
- English name
- (7-Chloro-2,3-dihydro-[1,4]dioxino-[2,3-b]pyridin-8-yl)methanol
- Molecular formula
- C8H8ClNO3
- Molecular weight
- 201.60702
Names & synonyms
(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol1346447-14-0MFCD20487092(7-Chloro-2,3-dihydro-[1,4]dioxino-[2,3-b]pyridin-8-yl)methanolDTXSID601186550CS-0444779(7-Chloro-2,3-dihydro[1,4]dioxino[2,3-b]pyridin-8-yl)methanol1,4-Dioxino[2,3-b]pyridine-8-methanol, 7-chloro-2,3-dihydro-(7-Chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol, AldrichCPR
Database identifiers
- CAS
1346447-14-0- PubChem CID
- 71299062
- DTXSID
DTXSID601186550
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 367.3 · 367.3±42.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- pka
- 12.06 · 12.06±0.10(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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