| CAS Number | 131467-02-2 |
| Catalog Number | AG00A7X4(AGN-PC-07AAGN) |
| Chemical Name | Pyrimidine, 2-chloro-4-ethenyl- (9CI) |
| IUPAC Name | 2-chloro-4-ethenylpyrimidine |
| InChI | InChI=1S/C6H5ClN2/c1-2-5-3-4-8-6(7)9-5/h2-4H,1H2 |
| InChI Key | DYNFGCFGPTZBMR-UHFFFAOYSA-N |
| MDL Number | MFCD26127505 |
| Molecular Formula | C6H5ClN2 |
| Molecular Weight | 140.5703 |
| SMILES | ClC1=NC=CC(=N1)C=C |
| Synonyms | 2-Chloro-4-vinylpyrimidine,
2-chloro-4-ethenylpyrimidine,
131467-02-2,
Pyrimidine,2-chloro-4-ethenyl-,
SCHEMBL1982143,
CTK8G7980,
DYNFGCFGPTZBMR-UHFFFAOYSA-N,
ZINC39052526,
DA-12432,
FT-0728015,
Pyrimidine, 2-chloro-4-ethenyl- (9CI),
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.57g/mol |
| Monoisotopic Mass | 140.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number