| CAS Number | 926257-17-2 |
| Catalog Number | AG019MBL |
| Chemical Name | 5-chloro-2-[(pyridin-3-yl)methoxy]benzaldehyde |
| IUPAC Name | 5-chloro-2-(pyridin-3-ylmethoxy)benzaldehyde |
| InChI | InChI=1S/C13H10ClNO2/c14-12-3-4-13(11(6-12)8-16)17-9-10-2-1-5-15-7-10/h1-8H,9H2 |
| InChI Key | WZFSOAFPDBUGNT-UHFFFAOYSA-N |
| MDL Number | MFCD08442136 |
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.6770 |
| SMILES | ClC1=CC(C=O)=C(OCC2=CN=CC=C2)C=C1 |
| Synonyms | 5-chloro-2-(pyridin-3-ylmethoxy)benzaldehyde,
926257-17-2,
AC1Q3I30,
CTK7H8857,
ZINC8702317,
AKOS000100348,
MCULE-4813985718,
NE17305,
EN300-35685,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.678g/mol |
| Monoisotopic Mass | 247.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number