| CAS Number | 948294-24-4 |
| Catalog Number | AG005V1M(AGN-PC-01A9O1) |
| Chemical Name | 5-Chloro-8-methylquinoline-3-carboxylic acid |
| IUPAC Name | 5-chloro-8-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8ClNO2/c1-6-2-3-9(12)8-4-7(11(14)15)5-13-10(6)8/h2-5H,1H3,(H,14,15) |
| InChI Key | CMJTVPDKPRZDHT-UHFFFAOYSA-N |
| MDL Number | MFCD09787789 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | O=C(C1=CC2=C(Cl)C=CC(C)=C2N=C1)O |
| Synonyms | 5-Chloro-8-methylquinoline-3-carboxylic acid,
948294-24-4,
CTK8E5226,
DTXSID00589108,
MFCD09787789,
ZINC32099513,
AKOS027301277,
AB52243,
OR307994,
DB-080101,
RT-010280,
FT-0717356,
T6828,
5-Chloro-8-methylquinoline-3-carboxylic acid, AldrichCPR,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.64g/mol |
| Monoisotopic Mass | 221.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number