Ethyl 6-Chloro-3-pyridylglyoxylate - CAS 902837-55-2
Catalog: |
BB039809 |
Product Name: |
Ethyl 6-Chloro-3-pyridylglyoxylate |
CAS: |
902837-55-2 |
Synonyms: |
2-(6-chloro-3-pyridinyl)-2-oxoacetic acid ethyl ester; ethyl 2-(6-chloropyridin-3-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(6-chloropyridin-3-yl)-2-oxoacetate |
Description: | Ethyl 6-Chloro-3-pyridylglyoxylate (CAS# 902837-55-2) is a useful research chemical. |
Molecular Weight: | 213.62 |
Molecular Formula: | C9H8ClNO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CN=C(C=C1)Cl |
InChI: | InChI=1S/C9H8ClNO3/c1-2-14-9(13)8(12)6-3-4-7(10)11-5-6/h3-5H,2H2,1H3 |
InChI Key: | HRFPVENOVYSKHE-UHFFFAOYSA-N |
LogP: | 1.48080 |
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 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0192708 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0192708 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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