| CAS Number | 883901-68-6 |
| Catalog Number | AG00IF2X(AGN-PC-09X0ZJ) |
| Chemical Name | 5-Bromo-2-ethenylpyrimidine |
| IUPAC Name | 5-bromo-2-ethenylpyrimidine |
| InChI | InChI=1S/C6H5BrN2/c1-2-6-8-3-5(7)4-9-6/h2-4H,1H2 |
| InChI Key | LZGICTBSBIWVFA-UHFFFAOYSA-N |
| MDL Number | MFCD20485168 |
| Molecular Formula | C6H5BrN2 |
| Molecular Weight | 185.0213 |
| SMILES | BrC1=CN=C(C=C)N=C1 |
| Synonyms | 5-bromo-2-vinylpyrimidine,
883901-68-6,
5-bromo-2-ethenylpyrimidine,
5-Bromo-2-vinyl-pyrimidine,
Pyrimidine, 5-bromo-2-ethenyl-,
SCHEMBL1546339,
LZGICTBSBIWVFA-UHFFFAOYSA-N,
KS-000004CF,
MFCD20485168,
ZINC116482477,
SB11334,
AS-51484,
CS-0050621,
37491-EP2311802A1,
37491-EP2311803A1,
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| Complexity | 97.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.024g/mol |
| Monoisotopic Mass | 183.964g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number