Basic information
- CAS
443291-94-9- Standard SMILES
C=CCOc1c(Cl)cc(C=O)cc1OCC- InChIKey
MKZAWABXOVNIGR-UHFFFAOYSA-N- Molecular formula
- C12H13ClO3
- Average molar mass
- 240.68 g/mol
- Monoisotopic mass
- 240.055322
Names & identifiers
- Preferred name
- 4-(Allyloxy)-3-chloro-5-ethoxybenzaldehyde
- IUPAC
- 3-chloro-5-ethoxy-4-prop-2-enoxybenzaldehyde
- English name
- AKOS B004791
- Molecular formula
- C12H13ClO3
- Molecular weight
- 240.68
Names & synonyms
4-(ALLYLOXY)-3-CHLORO-5-ETHOXYBENZALDEHYDE443291-94-93-chloro-5-ethoxy-4-prop-2-enoxybenzaldehydeMFCD022564803-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)benzaldehyde4-Allyloxy-3-chloro-5-ethoxy-benzaldehyde3-chloro-5-ethoxy-4-prop-2-enyloxybenzaldehyde3-Chloro-5-ethoxy-4-[(prop-2-en-1-yl)oxy]benzaldehydeAKOS B004791Oprea1_244947DTXSID80404148TSA29194
Show more names
ASISCHEM R27505VITAS-BB TBB002679ART-CHEM-BB B004791CHEMBRDG-BB 6466219Benzaldehyde, 3-chloro-5-ethoxy-4-(2-propen-1-yloxy)-4-(allyloxy)-3-chloro-5-ethoxybenzaldehyde(SALTDATA: FREE)
SBB019937STK347060AKOS000287194BS-37948DB-205176CS-0118291ST45169584EN300-227981
Database identifiers
- CAS
443291-94-9- PubChem CID
- 4549596
- DTXSID
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 352.3 · 352.3±37.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
北京百灵威科技有限公司18210857532 18210857532 · [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
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