Ethyl 2-Fluoro-6-nitrobenzoate - CAS 1154426-16-0
Catalog: |
BB003565 |
Product Name: |
Ethyl 2-Fluoro-6-nitrobenzoate |
CAS: |
1154426-16-0 |
Synonyms: |
2-fluoro-6-nitrobenzoic acid ethyl ester; ethyl 2-fluoro-6-nitrobenzoate |
IUPAC Name: | ethyl 2-fluoro-6-nitrobenzoate |
Description: | Ethyl 2-Fluoro-6-nitrobenzoate (CAS# 1154426-16-0) is a useful research chemical. |
Molecular Weight: | 213.16 |
Molecular Formula: | C9H8FNO4 |
Canonical SMILES: | CCOC(=O)C1=C(C=CC=C1F)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8FNO4/c1-2-15-9(12)8-6(10)4-3-5-7(8)11(13)14/h3-5H,2H2,1H3 |
InChI Key: | AQTBBISJVNTXEV-UHFFFAOYSA-N |
LogP: | 2.43380 |
Publication Number | Title | Priority Date |
WO-2020005935-A1 | Glucose uptake inhibitors | 20180625 |
AU-2010305355-A1 | Automated radiosynthesis | 20091008 |
AU-2010305355-B2 | Automated radiosynthesis | 20091008 |
CA-2774031-A1 | Automated radiosynthesis | 20091008 |
EP-2486040-A1 | Automated radiosynthesis | 20091008 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0437359 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0437359 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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