| CAS Number | 1184914-71-3 |
| Catalog Number | AG0095LX(AGN-PC-0687JR) |
| Chemical Name | 6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)quinoline |
| IUPAC Name | 6-bromo-3-(1-methylpyrazol-4-yl)quinoline |
| InChI | InChI=1S/C13H10BrN3/c1-17-8-11(7-16-17)10-4-9-5-12(14)2-3-13(9)15-6-10/h2-8H,1H3 |
| InChI Key | LOCJBBZLDUXSGD-UHFFFAOYSA-N |
| MDL Number | MFCD12405860 |
| Molecular Formula | C13H10BrN3 |
| Molecular Weight | 288.1426 |
| SMILES | Brc1ccc2c(c1)cc(cn2)c1cnn(c1)C |
| Synonyms | 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)quinoline,
1184914-71-3,
SCHEMBL14895823,
ZINC33358947,
AKOS015919459,
CS-0037709,
6-BROMO-3-(1-METHYLPYRAZOL-4-YL)QUINOLINE,
S08-0043,
ACN-035891,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.148g/mol |
| Monoisotopic Mass | 287.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number