| CAS Number | 1305324-66-6 |
| Catalog Number | AG00HS2D(AGN-PC-0WC8VS) |
| Chemical Name | 5-chloro-2,3-dimethoxyisonicotinaldehyde |
| IUPAC Name | 5-chloro-2,3-dimethoxypyridine-4-carbaldehyde |
| InChI | InChI=1S/C8H8ClNO3/c1-12-7-5(4-11)6(9)3-10-8(7)13-2/h3-4H,1-2H3 |
| InChI Key | YDVRFQLEURGEFE-UHFFFAOYSA-N |
| MDL Number | MFCD20487003 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | COc1c(OC)ncc(c1C=O)Cl |
| Synonyms | 5-CHLORO-2,3-DIMETHOXYISONICOTINALDEHYDE,
1305324-66-6,
KM5367,
MFCD20487003,
ZINC66054175,
5-chloro-2,3-dimethoxypyridine-4-carbaldehyde,
5-Chloro-2,3-dimethoxyisonicotinaldehyde, AldrichCPR,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number