| CAS Number | 68935-52-4 |
| Catalog Number | AG00JPDP(AGN-PC-035E7M) |
| Chemical Name | 6-chloro-5-methoxy-1H-indole-3-carbaldehyde |
| IUPAC Name | 6-chloro-5-methoxy-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C10H8ClNO2/c1-14-10-2-7-6(5-13)4-12-9(7)3-8(10)11/h2-5,12H,1H3 |
| InChI Key | SHXXLOIGTOKQAY-UHFFFAOYSA-N |
| MDL Number | MFCD14525670 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.629 |
| SMILES | COC1=C(Cl)C=C2C(C(=CN2)C=O)=C1 |
| Synonyms | 6-chloro-5-methoxy-1H-Indole-3-carboxaldehyde,
SCHEMBL2536514,
ZINC44857504,
68935-52-4,
DB-074083,
6-Chloro-5-methoxy-1H-indole-3-carbaldehyde,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.629g/mol |
| Monoisotopic Mass | 209.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number