| CAS Number | 948290-22-0 |
| Catalog Number | AG00IIK9 |
| Chemical Name | 7-Chloro-2,8-dimethylquinoline-3-carboxylic acid |
| IUPAC Name | 7-chloro-2,8-dimethylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C12H10ClNO2/c1-6-10(13)4-3-8-5-9(12(15)16)7(2)14-11(6)8/h3-5H,1-2H3,(H,15,16) |
| InChI Key | XXJOAECAXTVYHG-UHFFFAOYSA-N |
| MDL Number | MFCD09787853 |
| Molecular Formula | C12H10ClNO2 |
| Molecular Weight | 235.6663 |
| SMILES | OC(=O)c1cc2ccc(c(c2nc1C)C)Cl |
| Synonyms | 7-Chloro-2,8-dimethylquinoline-3-carboxylic acid,
948290-22-0,
CTK8E5509,
DTXSID80589161,
MFCD09787853,
ZINC32099610,
AB52385,
OR309224,
DB-080050,
RT-010791,
FT-0727263,
T6791,
7-Chloro-2,8-dimethylquinoline-3-carboxylic acid, AldrichCPR,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.667g/mol |
| Monoisotopic Mass | 235.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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