2-Chloro-6-isopropoxypyrazine - CAS 1016698-79-5
Catalog: |
BB000589 |
Product Name: |
2-Chloro-6-isopropoxypyrazine |
CAS: |
1016698-79-5 |
Synonyms: |
2-chloro-6-propan-2-yloxypyrazine; 2-chloro-6-propan-2-yloxypyrazine |
IUPAC Name: | 2-chloro-6-propan-2-yloxypyrazine |
Description: | 2-Chloro-6-isopropoxypyrazine (CAS# 1016698-79-5) is a useful research chemical. |
Molecular Weight: | 172.61 |
Molecular Formula: | C7H9ClN2O |
Canonical SMILES: | CC(C)OC1=CN=CC(=N1)Cl |
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 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.91720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018323969-A1 | Lysophosphatidic acid receptor 1 (LPAR1) inhibitor compounds | 20170904 |
CA-3073983-A1 | Lysophosphatidic acid receptor 1 (lpar1) inhibitor compounds | 20170904 |
CN-111032647-A | Lysophosphatidic acid receptor 1(LPAR1) inhibitor compounds | 20170904 |
KR-20200035440-A | Lysophosphatidic acid receptor 1 (LPAR1) inhibitor compounds | 20170904 |
WO-2019041340-A1 | LYSOPHOSPHATIDE ACID RECEPTOR 1 RECEPTOR INHIBITORS (LPAR1) | 20170904 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0403406 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0403406 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Pyrazines
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