| CAS Number | 1189106-92-0 |
| Catalog Number | AG0093HP(AGN-PC-0WR1ZC) |
| Chemical Name | 7-Bromo-2,8-dimethylquinoline-3-carboxylic acid |
| IUPAC Name | 7-bromo-2,8-dimethylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C12H10BrNO2/c1-6-10(13)4-3-8-5-9(12(15)16)7(2)14-11(6)8/h3-5H,1-2H3,(H,15,16) |
| InChI Key | WLPLPFSWQMZHOT-UHFFFAOYSA-N |
| MDL Number | MFCD12675072 |
| Molecular Formula | C12H10BrNO2 |
| Molecular Weight | 280.1173 |
| SMILES | OC(=O)c1cc2ccc(c(c2nc1C)C)Br |
| Synonyms | 7-Bromo-2,8-dimethylquinoline-3-carboxylic acid,
1189106-92-0,
CTK8E5480,
DTXSID30670997,
MFCD12675072,
ZINC36075669,
AKOS027301468,
OR309319,
RT-017181,
T6255,
7-Bromo-2,8-dimethylquinoline-3-carboxylic acid, AldrichCPR,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.121g/mol |
| Monoisotopic Mass | 278.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H319
|
|
Packing Group
|
|
|
Precautionary statements
|
P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number