| CAS Number | 154343-51-8 |
| Catalog Number | AG00AX1C(AGN-PC-0NKMCL) |
| Chemical Name | 2-Chloro-5,8-dimethoxyquinoline-3-carbaldehyde |
| IUPAC Name | 2-chloro-5,8-dimethoxyquinoline-3-carbaldehyde |
| InChI | InChI=1S/C12H10ClNO3/c1-16-9-3-4-10(17-2)11-8(9)5-7(6-15)12(13)14-11/h3-6H,1-2H3 |
| InChI Key | KYZIUIXHMHLEPY-UHFFFAOYSA-N |
| MDL Number | MFCD02995307 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | N1=C(Cl)C(C=O)=CC2=C(C=CC(OC)=C21)OC |
| Synonyms | 154343-51-8,
2-CHLORO-5,8-DIMETHOXYQUINOLINE-3-CARBALDEHYDE,
2-chloro-5,8-dimethoxy-3-quinolinecarbaldehyde,
SCHEMBL8543043,
ZX-CM010127,
MFCD02995307,
ZINC21982326,
AKOS027390881,
W-9933,
2-CHLORO-5,8-DIMETHOXY-QUINOLINE-3-CARBALDEHYDE,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.666g/mol |
| Monoisotopic Mass | 251.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number