| CAS Number | 883519-13-9 |
| Catalog Number | AG01BH1M(AGN-PC-0WNNI2) |
| Chemical Name | 5-Chloro-2-(cyclopropylmethoxy)benzaldehyde |
| IUPAC Name | 5-chloro-2-(cyclopropylmethoxy)benzaldehyde |
| InChI | InChI=1S/C11H11ClO2/c12-10-3-4-11(9(5-10)6-13)14-7-8-1-2-8/h3-6,8H,1-2,7H2 |
| InChI Key | AYEUHQWRUISSCM-UHFFFAOYSA-N |
| MDL Number | MFCD06246134 |
| Molecular Formula | C11H11ClO2 |
| Molecular Weight | 210.6568 |
| SMILES | ClC1=CC(C=O)=C(OCC2CC2)C=C1 |
| Synonyms | 5-chloro-2-(cyclopropylmethoxy)benzaldehyde,
883519-13-9,
SCHEMBL18783932,
ZINC36765380,
AKOS009591691,
A1-01299,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.657g/mol |
| Monoisotopic Mass | 210.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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