| CAS Number | 1133116-21-8 |
| Catalog Number | AG003RXH(AGN-PC-07XU58) |
| Chemical Name | Methyl 5-bromo-8-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylate |
| IUPAC Name | methyl 5-bromo-8-methyl-4-oxo-1H-quinoline-2-carboxylate |
| InChI | InChI=1S/C12H10BrNO3/c1-6-3-4-7(13)10-9(15)5-8(12(16)17-2)14-11(6)10/h3-5H,1-2H3,(H,14,15) |
| InChI Key | WWNYNLAVZQJOAI-UHFFFAOYSA-N |
| MDL Number | MFCD11855939 |
| Molecular Formula | C12H10BrNO3 |
| Molecular Weight | 296.1167 |
| SMILES | O=C(C(NC1=C2C(Br)=CC=C1C)=CC2=O)OC |
| Synonyms | METHYL 5-BROMO-8-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-2-CARBOXYLATE,
1133116-21-8,
ACMC-2099j6,
CTK4A8245,
DTXSID90674799,
ANW-16624,
MFCD11855939,
ZINC38537243,
AKOS012682667,
AJ-96004,
AX8231381,
BC4488384,
Z7461,
A-5013,
I08-530,
C12H10BrNO3,
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| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.12g/mol |
| Monoisotopic Mass | 294.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number