| CAS Number | 1016698-79-5 |
| Catalog Number | AG00054J(AGN-PC-0WNRAT) |
| Chemical Name | 2-Chloro-6-isopropoxypyrazine |
| IUPAC Name | 2-chloro-6-propan-2-yloxypyrazine |
| InChI | InChI=1S/C7H9ClN2O/c1-5(2)11-7-4-9-3-6(8)10-7/h3-5H,1-2H3 |
| InChI Key | JQXBZEQRXQPLOC-UHFFFAOYSA-N |
| MDL Number | MFCD09808340 |
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.6122 |
| SMILES | CC(OC1=NC(Cl)=CN=C1)C |
| Synonyms | 2-chloro-6-isopropoxypyrazine,
1016698-79-5,
2-chloro-6-(propan-2-yloxy)pyrazine,
Pyrazine, 2-chloro-6-(1-methylethoxy)-,
SCHEMBL4432008,
DTXSID30640716,
JQXBZEQRXQPLOC-UHFFFAOYSA-N,
MFCD09808340,
ZINC19421001,
AKOS000169682,
NE47009,
RL00087,
2-Chloro-6-[(propan-2-yl)oxy]pyrazine,
AJ-73390,
AS-36639,
DA-16346,
FT-0722088,
J-508945,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.612g/mol |
| Monoisotopic Mass | 172.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number