Chloromethyl 2-ethylbutyrate - CAS 40930-71-0
Catalog: |
BB024721 |
Product Name: |
Chloromethyl 2-ethylbutyrate |
CAS: |
40930-71-0 |
Synonyms: |
chloromethyl 2-ethylbutanoate |
IUPAC Name: | chloromethyl 2-ethylbutanoate |
Description: | Chloromethyl 2-ethylbutyrate (CAS# 40930-71-0) is a useful research chemical compound. |
Molecular Weight: | 164.63 |
Molecular Formula: | C7H13ClO2 |
Canonical SMILES: | CCC(CC)C(=O)OCCl |
InChI: | InChI=1S/C7H13ClO2/c1-3-6(4-2)7(9)10-5-8/h6H,3-5H2,1-2H3 |
InChI Key: | AAACXXOAKLEEOX-UHFFFAOYSA-N |
LogP: | 2.16210 |
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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020099341-A1 | Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof | 20181112 |
CN-113272302-A | Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use | 20181112 |
EP-3880675-A1 | Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof | 20181112 |
KR-20210093292-A | Antibiotic compound, preparation method thereof, pharmaceutical composition comprising same, and use thereof | 20181112 |
CN-111295372-A | Nitroxoline prodrugs and uses thereof | 20180929 |
Complexity: | 99.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0604073 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0604073 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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