| CAS Number | 1378260-89-9 |
| Catalog Number | AG01C7D0 |
| Chemical Name | 8-Bromoquinoxaline-6-carboxylic acid |
| IUPAC Name | 8-bromoquinoxaline-6-carboxylic acid |
| InChI | InChI=1S/C9H5BrN2O2/c10-6-3-5(9(13)14)4-7-8(6)12-2-1-11-7/h1-4H,(H,13,14) |
| InChI Key | YTGWEQGMSZLMDS-UHFFFAOYSA-N |
| MDL Number | MFCD22371614 |
| Molecular Formula | C9H5BrN2O2 |
| Molecular Weight | 253.0522 |
| SMILES | O=C(C1=CC(Br)=C2N=CC=NC2=C1)O |
| Synonyms | 8-Bromoquinoxaline-6-carboxylic acid,
1378260-89-9,
MFCD22371614,
ZINC85386237,
AKOS027453814,
AK531509,
DS-19101,
8-Bromo-quinoxaline-6-carboxylic acid,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.055g/mol |
| Monoisotopic Mass | 251.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number