| CAS Number | 1216263-67-0 |
| Catalog Number | AG009W01 |
| Chemical Name | 4-Amino-6-bromoquinoline-3-carboxylic acid |
| IUPAC Name | 4-amino-6-bromoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H7BrN2O2/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15/h1-4H,(H2,12,13)(H,14,15) |
| InChI Key | NNUIEFZTKCWYTA-UHFFFAOYSA-N |
| MDL Number | MFCD13704745 |
| Molecular Formula | C10H7BrN2O2 |
| Molecular Weight | 267.0788 |
| SMILES | NC1=C2C(C=CC(=C2)Br)=NC=C1C(O)=O |
| Synonyms | 4-Amino-6-bromoquinoline-3-carboxylic acid,
1216263-67-0,
SCHEMBL442132,
DTXSID20673694,
MFCD13704745,
ZINC40175584,
OR309356,
BB 0241164,
T6321,
4-Amino-6-bromo-quinoline-3-carboxylic acid,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.082g/mol |
| Monoisotopic Mass | 265.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number