Ethyl 2-chloro-2-(hydroxyimino)acetate - CAS 14337-43-0
Catalog: |
BB009570 |
Product Name: |
Ethyl 2-chloro-2-(hydroxyimino)acetate |
CAS: |
14337-43-0 |
Synonyms: |
ethyl (2Z)-2-chloro-2-hydroxyiminoacetate |
IUPAC Name: | ethyl (2Z)-2-chloro-2-hydroxyiminoacetate |
Description: | Ethyl 2-Chloro-2-hydroxyiminoacetate has shown moderate toxicity and significant mutagenicity in Salmonella typhimurium TA-100. |
Molecular Weight: | 151.55 |
Molecular Formula: | C4H6ClNO3 |
Canonical SMILES: | CCOC(=O)C(=NO)Cl |
InChI: | InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3/b6-3- |
InChI Key: | UXOLDCOJRAMLTQ-UTCJRWHESA-N |
Boiling Point: | 230.5 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.36 g/cm3 |
MDL: | MFCD00010209 |
LogP: | 0.57600 |
GHS Hazard Statement: | H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P332+P313, P342+P311, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2019330198-A1 | Compounds and uses thereof | 20180425 |
WO-2019209962-A1 | Compounds and uses thereof | 20180425 |
EP-3784234-A1 | Compounds and uses thereof | 20180425 |
US-10919885-B2 | Compounds and uses thereof | 20180425 |
US-2021221803-A1 | Atf6 inhibitors and uses thereof | 20180406 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 151.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.0036207 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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