Basic information
- CAS
692267-55-3- Standard SMILES
CCOc1cc(C=O)c(Cl)cc1OC(C)C- InChIKey
IDSQTTSPDCFWSG-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- 2-Chloro-5-ethoxy-4-isopropoxybenzaldehyde
- IUPAC
- 2-chloro-5-ethoxy-4-propan-2-yloxybenzaldehyde
- English name
- AKOS B028906
- Molecular formula
- C12H15ClO3
- Molecular weight
- 242.7
Names & synonyms
2-CHLORO-5-ETHOXY-4-ISOPROPOXYBENZALDEHYDE692267-55-32-chloro-5-ethoxy-4-propan-2-yloxybenzaldehydeMFCD023799722-chloro-5-ethoxy-4-(propan-2-yloxy)benzaldehyde2-chloro-5-ethoxy-4-isopropoxy-benzaldehyde2-Chloro-5-ethoxy-4-[(propan-2-yl)oxy]benzaldehyde2-chloro-5-ethoxy-4-(methylethoxy)benzaldehydeAKOS B028906DTXSID80358359SCB26755SBB023453
Show more names
VITAS-BB TBB009799CHEMBRDG-BB 7389354ART-CHEM-BB B028906Benzaldehyde, 2-chloro-5-ethoxy-4-(1-methylethoxy)-2-chloro-5-ethoxy-4-isopropoxybenzaldehyde(SALTDATA: FREE)
STK350580AKOS000312919BS-38394CS-0240899ST45059836EN300-230496SR-01000260963SR-01000260963-1
Database identifiers
- CAS
692267-55-3- PubChem CID
- 889554
- DTXSID
DTXSID80358359
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 339.9 · 339.9±37.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…