Basic information
- CAS
299441-96-6- Standard SMILES
CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1- InChIKey
RKDKWRMABXGUPQ-UHFFFAOYSA-N- Molecular formula
- C16H15ClO3
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.070972
Names & identifiers
- Preferred name
- 4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde
- IUPAC
- 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde
- English name
- 4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde
- Molecular formula
- C16H15ClO3
- Molecular weight
- 290.74
Names & synonyms
4-[(4-chlorobenzyl)oxy]-3-ethoxybenzaldehyde299441-96-64-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehydeMFCD011912654-((4-Chlorobenzyl)oxy)-3-ethoxybenzaldehydeCBMicro_029970Cambridge id 5736687Oprea1_305220Oprea1_823279CHEMBL4111499SCHEMBL13220784BDBM97488
Show more names
ZERO/004724AKOS B014225AURORA 23294ZINC00065207ASISCHEM N30002CHEMBRDG-BB 3014225
DTXSID50351216ALBB-001347BBL015219SBB007050STK199531AKOS000201883NS-04856BIM-0029892.P001
Database identifiers
- CAS
299441-96-6- PubChem CID
- 693306
- DTXSID
DTXSID50351216- ChEMBL
CHEMBL4111499
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hangzhou Huarong Pharm Co., Ltd.571-86758373 +8613588754946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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