| CAS Number | 135274-82-7 |
| Catalog Number | AG009HPN(AGN-PC-0O17NM) |
| Chemical Name | 5-Bromo-6-hydroxypyrimidine-4-carboxylic acid |
| IUPAC Name | 5-bromo-6-oxo-1H-pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C5H3BrN2O3/c6-2-3(5(10)11)7-1-8-4(2)9/h1H,(H,10,11)(H,7,8,9) |
| InChI Key | AUWJWPVYZWQTJV-UHFFFAOYSA-N |
| MDL Number | MFCD00224020 |
| Molecular Formula | C5H3BrN2O3 |
| Molecular Weight | 218.9929 |
| SMILES | OC(C1=C(Br)C(O)=NC=N1)=O |
| Synonyms | 5-Bromo-6-hydroxypyrimidine-4-carboxylic acid,
135274-82-7,
5-Bromopyrimidine-6-ol-4-carboxylic acid,
AC1LCGY9,
AC1Q744Q,
SCHEMBL7821803,
DTXSID90344869,
AUWJWPVYZWQTJV-UHFFFAOYSA-N,
ZINC19865245,
AKOS000277207,
HP21387,
MCULE-8097456522,
HC210441,
FT-0705482,
5-bromo-4-oxo-1H-pyrimidine-6-carboxylic acid,
5-Bromo-6-hydroxy-4-pyrimidinecarboxylic acid #,
5-bromo-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid,
CID600039,
5-bromo-1,6-dihydro-6-oxopyrimidine-4-carboxylic acid,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.994g/mol |
| Monoisotopic Mass | 217.933g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number