Basic information
- Standard SMILES
N#Cc1cccc(COc2ccc(C=O)cc2)c1- InChIKey
IXIGOQRTYPMSPJ-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 3-[(4-Formylphenoxy)methyl]benzonitrile
- IUPAC
- 3-[(4-formylphenoxy)methyl]benzonitrile
- English name
- 3-[(4-formylphenoxy)methyl]benzonitrile
- Molecular formula
- C15H11NO2
- Molecular weight
- 237.25
Names & synonyms
229309-18-63-[(4-Formylphenoxy)methyl]benzonitrile3-((4-Formylphenoxy)methyl)benzonitrile4-(3-cyanobenzyloxy)benzaldehydeBenzonitrile, 3-[(4-formylphenoxy)methyl]-SCHEMBL3240903DTXSID30589833IXIGOQRTYPMSPJ-UHFFFAOYSA-NMFCD08753666AKOS0001802423-(4-Formyl-phenoxymethyl)benzonitrile3-(4-Formyl-phenoxymethyl)-benzonitrile
Show more names
F396864A1-05458
Database identifiers
- CAS
229309-18-6- PubChem CID
- 17608676
- DTXSID
DTXSID30589833
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Chemistry & industry
Suppliers2 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Linked notes
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