| CAS Number | 66438-79-7 |
| Catalog Number | AG01EL5Y(AGN-PC-0NJ2B5) |
| Chemical Name | 3-Bromo-7-Methylquinoline |
| IUPAC Name | 3-bromo-7-methylquinoline |
| InChI | InChI=1S/C10H8BrN/c1-7-2-3-8-5-9(11)6-12-10(8)4-7/h2-6H,1H3 |
| InChI Key | CIZXIQQLEOYMSQ-UHFFFAOYSA-N |
| MDL Number | MFCD18448353 |
| Molecular Formula | C10H8BrN |
| Molecular Weight | 222.0812 |
| SMILES | BrC1=CN=C2C=C(C)C=CC2=C1 |
| Synonyms | 3-Bromo-7-methylquinoline,
Quinoline, 3-bromo-7-methyl-,
66438-79-7,
SCHEMBL12958078,
CIZXIQQLEOYMSQ-UHFFFAOYSA-N,
AKOS028112180,
ZINC196436419,
FT-0723044,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.085g/mol |
| Monoisotopic Mass | 220.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number