| CAS Number | 1447607-26-2 |
| Catalog Number | AG00ATFZ(AGN-PC-0WD3YB) |
| Chemical Name | 7-Bromo-1-(4-hydroxy-2-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| IUPAC Name | 7-bromo-1-(4-hydroxy-2-methylphenyl)-4-oxoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C17H12BrNO4/c1-9-6-11(20)3-5-14(9)19-8-13(17(22)23)16(21)12-4-2-10(18)7-15(12)19/h2-8,20H,1H3,(H,22,23) |
| InChI Key | GAQYYLONEGSVIP-UHFFFAOYSA-N |
| MDL Number | MFCD24386273 |
| Molecular Formula | C17H12BrNO4 |
| Molecular Weight | 374.1855 |
| SMILES | CC1=CC(O)=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Br)C=C2 |
| Synonyms | 7-BROMO-1-(4-HYDROXY-2-METHYLPHENYL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID,
1447607-26-2,
DTXSID00857339,
CS-D1317,
MFCD24386273,
ZINC95802907,
AK142963,
AS-42077,
AJ-133884,
AX8282534,
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| Complexity | 535 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.19g/mol |
| Monoisotopic Mass | 372.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number