Basic information
- CAS
847446-84-8- Standard SMILES
Cc1cccnc1-c1ccc(C=O)cc1- InChIKey
ASHNBGQNIQIZTC-UHFFFAOYSA-N- Molecular formula
- C13H11NO
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.08406397
Names & identifiers
- Preferred name
- 4-(3-Methylpyridin-2-yl)benzaldehyde
- IUPAC
- 4-(3-methyl-2-pyridinyl)benzaldehyde
- English name
- 4-(3-Methylpyridin-2-yl)benzaldehyde
- Molecular formula
- C13H11NO
- Molecular weight
- 197.23
Names & synonyms
847446-84-84-(3-Methylpyridin-2-yl)benzaldehydeBenzaldehyde,4-(3-methyl-2-pyridinyl)-4-(3-METHYL(PYRIDIN-2-YL))BENZALDEHYDESCHEMBL3969167SCHEMBL3969172DTXSID90699149DB-305004Benzaldehyde, 4-(3-methyl-2-pyridinyl)-
Database identifiers
- CAS
847446-84-8- PubChem CID
- 53426257
- DTXSID
DTXSID90699149
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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