| CAS Number | 1204811-69-7 |
| Catalog Number | AG00936C(AGN-PC-0WR1L6) |
| Chemical Name | 3-Bromo-6,7-dimethyl-4-hydroxyquinoline |
| IUPAC Name | 3-bromo-6,7-dimethyl-1H-quinolin-4-one |
| InChI | InChI=1S/C11H10BrNO/c1-6-3-8-10(4-7(6)2)13-5-9(12)11(8)14/h3-5H,1-2H3,(H,13,14) |
| InChI Key | JYCOENAJWAVNKI-UHFFFAOYSA-N |
| MDL Number | MFCD13192891 |
| Molecular Formula | C11H10BrNO |
| Molecular Weight | 252.1072 |
| SMILES | Cc1cc2ncc(c(c2cc1C)O)Br |
| Synonyms | 3-Bromo-6,7-dimethyl-4-hydroxyquinoline,
1204811-69-7,
3-Bromo-6,7-dimethylquinolin-4(1H)-one,
DTXSID50671103,
MFCD13192891,
ZINC41702101,
AKOS022530712,
FCH1381722,
OR309326,
T6288,
3-Bromo-6,7-dimethyl-4-hydroxyquinoline, AldrichCPR,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.111g/mol |
| Monoisotopic Mass | 250.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number