| CAS Number | 1314354-16-9 |
| Catalog Number | AG01BXXX |
| Chemical Name | 5-Bromo-2-(prop-1-en-2-yl)pyrimidine |
| IUPAC Name | 5-bromo-2-prop-1-en-2-ylpyrimidine |
| InChI | InChI=1S/C7H7BrN2/c1-5(2)7-9-3-6(8)4-10-7/h3-4H,1H2,2H3 |
| InChI Key | NFYTXBRLWHNGBJ-UHFFFAOYSA-N |
| MDL Number | MFCD19543776 |
| Molecular Formula | C7H7BrN2 |
| Molecular Weight | 199.0479 |
| SMILES | CC(C1=NC=C(Br)C=N1)=C |
| Synonyms | 5-bromo-2-(prop-1-en-2-yl)pyrimidine,
1314354-16-9,
SCHEMBL18149175,
ZINC72192431,
AKOS015943240,
Z2694742665,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.051g/mol |
| Monoisotopic Mass | 197.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number