3-chloro-1-ethyl-1,2-dihydropyrazin-2-one - CAS 58909-71-0
Catalog: |
BB030200 |
Product Name: |
3-chloro-1-ethyl-1,2-dihydropyrazin-2-one |
CAS: |
58909-71-0 |
Synonyms: |
3-chloro-1-ethyl-2-pyrazinone; 3-chloro-1-ethylpyrazin-2-one |
IUPAC Name: | 3-chloro-1-ethylpyrazin-2-one |
Description: | 3-chloro-1-ethyl-1,2-dihydropyrazin-2-one (CAS# 58909-71-0) is a useful research chemical. |
Molecular Weight: | 158.585 |
Molecular Formula: | C6H7ClN2O |
Canonical SMILES: | CCN1C=CN=C(C1=O)Cl |
InChI: | InChI=1S/C6H7ClN2O/c1-2-9-4-3-8-5(7)6(9)10/h3-4H,2H2,1H3 |
InChI Key: | DOJHQENGHOKCAX-UHFFFAOYSA-N |
LogP: | 0.91660 |
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 |
KR-790001023-B1 | Method for preparing acyl derivative | 19750620 |
CA-1111021-A | Acyl derivatives | 19740621 |
CA-1240314-A | Acyl derivatives | 19740621 |
DK-153155-B | Analogy procedure for the preparation of cephalosporines | 19740621 |
DK-155329-B | 7-aminocephalosporines used as intermediates in the preparation of therapeutic effective 7-acylamino-cephalosporines | 19740621 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0246905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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