| CAS Number | 860785-43-9 |
| Catalog Number | AG01C36R |
| Chemical Name | 5-chloro-2-(1H-pyrrol-1-yl)pyrimidine |
| IUPAC Name | 5-chloro-2-pyrrol-1-ylpyrimidine |
| InChI | InChI=1S/C8H6ClN3/c9-7-5-10-8(11-6-7)12-3-1-2-4-12/h1-6H |
| InChI Key | ZGQKSXDXZDXHQU-UHFFFAOYSA-N |
| MDL Number | MFCD03617803 |
| Molecular Formula | C8H6ClN3 |
| Molecular Weight | 179.6063 |
| SMILES | ClC1=CN=C(N2C=CC=C2)N=C1 |
| Synonyms | 5-chloro-2-(1H-pyrrol-1-yl)pyrimidine,
860785-43-9,
Bionet2_001221,
HMS1367H11,
KS-000031PF,
ZINC1385048,
AKOS006276709,
MCULE-2573699410,
12T-0898,
AC1LSYF6,
5-chloro-2-pyrrol-1-ylpyrimidine,
ZINC01385048,
CID1473440,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.025025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.6g/mol |
| Monoisotopic Mass | 179.025025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number