| CAS Number | 67643-46-3 |
| Catalog Number | AG00FGOD(AGN-PC-0WAIUS) |
| Chemical Name | 6-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid |
| IUPAC Name | 6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO3/c1-5-2-6(12)3-7-9(5)13-4-8(10(7)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16) |
| InChI Key | QQAKWUOQYYHCSK-UHFFFAOYSA-N |
| MDL Number | MFCD12674978 |
| Molecular Formula | C11H8BrNO3 |
| Molecular Weight | 282.0901 |
| SMILES | CC1=C2C(C(=C(C(O)=O)C=N2)O)=CC(Br)=C1 |
| Synonyms | 6-bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid,
67643-46-3,
6-bromo-4-hydroxy-8-methyl-3-quinolinecarboxylic acid,
AC1N0GHT,
AC1Q2GOW,
SCHEMBL732403,
6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic Acid,
CTK5I6284,
DTXSID20398092,
QQAKWUOQYYHCSK-UHFFFAOYSA-N,
ZINC3677343,
MFCD12674978,
AKOS005175391,
MCULE-3689968337,
NE33627,
AJ-92095,
FT-0731692,
ST51063082,
EN300-56105,
CID3937418,
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| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.093g/mol |
| Monoisotopic Mass | 280.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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