| CAS Number | 1152557-12-4 |
| Catalog Number | AG01AA6F(AGN-PC-0WOAMD) |
| Chemical Name | 3-[(6-chloropyrazin-2-yl)oxy]propan-1-ol |
| IUPAC Name | 3-(6-chloropyrazin-2-yl)oxypropan-1-ol |
| InChI | InChI=1S/C7H9ClN2O2/c8-6-4-9-5-7(10-6)12-3-1-2-11/h4-5,11H,1-3H2 |
| InChI Key | RVFUQQKHBUNKGL-UHFFFAOYSA-N |
| MDL Number | MFCD11104345 |
| Molecular Formula | C7H9ClN2O2 |
| Molecular Weight | 188.6116 |
| SMILES | OCCCOC1=NC(Cl)=CN=C1 |
| Synonyms | 3-[(6-chloropyrazin-2-yl)oxy]propan-1-ol,
1152557-12-4,
3-((6-Chloropyrazin-2-yl)oxy)propan-1-ol,
AC1Q7CUQ,
ZINC34974061,
AKOS009321196,
NE50942,
EN300-67192,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.611g/mol |
| Monoisotopic Mass | 188.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number