| CAS Number | 187241-82-3 |
| Catalog Number | AG019SXL(AGN-PC-03RDKE) |
| Chemical Name | 5-Chloro-2-(cyclopentyloxy)benzaldehyde |
| IUPAC Name | 5-chloro-2-cyclopentyloxybenzaldehyde |
| InChI | InChI=1S/C12H13ClO2/c13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h5-8,11H,1-4H2 |
| InChI Key | ZZBKVNNQZYGRDS-UHFFFAOYSA-N |
| MDL Number | MFCD11103193 |
| Molecular Formula | C12H13ClO2 |
| Molecular Weight | 224.6834 |
| SMILES | ClC1=CC(C=O)=C(OC2CCCC2)C=C1 |
| Synonyms | 5-chloro-2-(cyclopentyloxy)benzaldehyde,
187241-82-3,
SCHEMBL7662729,
ZZBKVNNQZYGRDS-UHFFFAOYSA-N,
5-Chloro-2-cyclopentoxybenzaldehyde,
ZINC9237580,
AKOS000346101,
NE14905,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.684g/mol |
| Monoisotopic Mass | 224.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number