| CAS Number | 179024-73-8 |
| Catalog Number | AG0026P8(AGN-PC-002C81) |
| Chemical Name | 4-Chloro-8-methoxyquinoline-3-carboxylic acid |
| IUPAC Name | 4-chloro-8-methoxyquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8ClNO3/c1-16-8-4-2-3-6-9(12)7(11(14)15)5-13-10(6)8/h2-5H,1H3,(H,14,15) |
| InChI Key | QMWBLZDPQJWVRU-UHFFFAOYSA-N |
| MDL Number | MFCD18256127 |
| Molecular Formula | C11H8ClNO3 |
| Molecular Weight | 237.6391 |
| SMILES | COC1=C2N=CC(C(O)=O)=C(Cl)C2=CC=C1 |
| Synonyms | 4-Chloro-8-methoxyquinoline-3-carboxylic acid,
179024-73-8,
AK101788,
SCHEMBL1257667,
CTK8B9534,
DTXSID50562885,
ACT10491,
9388AA,
ANW-62673,
MFCD18256127,
ZINC34343708,
AKOS016004222,
DS-3749,
KS-00000Q77,
AJ-88058,
AX8233327,
TC-151418,
3-Quinolinecarboxylic acid, 4-chloro-8-methoxy-,
C11H8ClNO3,
4-Chloro-8-methoxyquinoline-3-carboxylicacid,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.639g/mol |
| Monoisotopic Mass | 237.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number