| CAS Number | 1267301-54-1 |
| Catalog Number | AG01AFE7 |
| Chemical Name | 5-Bromo-2-(propan-2-yl)pyrimidine-4-carboxylic acid |
| IUPAC Name | 5-bromo-2-propan-2-ylpyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C8H9BrN2O2/c1-4(2)7-10-3-5(9)6(11-7)8(12)13/h3-4H,1-2H3,(H,12,13) |
| InChI Key | ZRKAYXAEJJRSBK-UHFFFAOYSA-N |
| MDL Number | MFCD11870590 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | CC(C1=NC(C(O)=O)=C(Br)C=N1)C |
| Synonyms | 1267301-54-1,
5-bromo-2-(propan-2-yl)pyrimidine-4-carboxylic acid,
5-Bromo-2-isopropylpyrimidine-4-carboxylic acid,
SCHEMBL2159923,
4-Pyrimidinecarboxylicacid,5-bromo-2-(1-methylethyl)-,
ZRKAYXAEJJRSBK-UHFFFAOYSA-N,
ZINC58041911,
AKOS022404529,
5-Bromo-2-isopropyl-pyrimidine-4-carboxylic acid,
A1-09798,
4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number