| CAS Number | 1133115-50-0 |
| Catalog Number | AG003RUZ(AGN-PC-07XU5W) |
| Chemical Name | Methyl 4-chloro-7-methoxyquinoline-2-carboxylate |
| IUPAC Name | methyl 4-chloro-7-methoxyquinoline-2-carboxylate |
| InChI | InChI=1S/C12H10ClNO3/c1-16-7-3-4-8-9(13)6-11(12(15)17-2)14-10(8)5-7/h3-6H,1-2H3 |
| InChI Key | OTOZREHULJJZJV-UHFFFAOYSA-N |
| MDL Number | MFCD11855871 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | ClC1=CC(=NC2=CC(=CC=C12)OC)C(=O)OC |
| Synonyms | METHYL 4-CHLORO-7-METHOXYQUINOLINE-2-CARBOXYLATE,
1133115-50-0,
ACMC-2099i7,
CTK4A8212,
DTXSID60674822,
ANW-16589,
MFCD11855871,
ZINC38537278,
AKOS015850350,
RTR-002544,
AJ-96034,
AX8231387,
TR-002544,
ST24025363,
Z7426,
A-4979,
I08-613,
4-Chloro-7-methoxy-quinoline-2-carboxylic acid methyl ester,
C12H10ClNO3,
METHYL4-CHLORO-7-METHOXYQUINOLINE-2-CARBOXYLATE,
|
| Complexity | 287 |
| 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 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number