| CAS Number | 1456863-37-8 |
| Catalog Number | AG00ANP0(AGN-PC-0WO5IB) |
| Chemical Name | 2-Bromo-pyrimidine-5-carbaldehyde |
| IUPAC Name | 2-bromopyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C5H3BrN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H |
| InChI Key | SYXSPPBOICULFV-UHFFFAOYSA-N |
| MDL Number | MFCD25371819 |
| Molecular Formula | C5H3BrN2O |
| Molecular Weight | 186.9941 |
| SMILES | BrC1=NC=C(C=N1)C=O |
| Synonyms | 2-Bromopyrimidine-5-carbaldehyde,
1456863-37-8,
2-Bromo-pyrimidine-5-carbaldehyde,
SCHEMBL15009161,
SYXSPPBOICULFV-UHFFFAOYSA-N,
MFCD25371819,
ZINC95348173,
5-Pyrimidinecarboxaldehyde, 2-bromo-,
AKOS026727900,
AS-36715,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.996g/mol |
| Monoisotopic Mass | 185.943g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number