2-Ethoxy-1-fluoro-4-nitrobenzene - CAS 1093656-34-8
Catalog: |
BB066009 |
Product Name: |
2-Ethoxy-1-fluoro-4-nitrobenzene |
CAS: |
1093656-34-8 |
Synonyms: |
2-Ethoxy-1-fluoro-4-nitrobenzene; Benzene, 2-ethoxy-1-fluoro-4-nitro- |
IUPAC Name: | 2-ethoxy-1-fluoro-4-nitrobenzene |
Description: | 2-Ethoxy-1-fluoro-4-nitrobenzene |
Molecular Weight: | 185.15 |
Molecular Formula: | C8H8FNO3 |
Canonical SMILES: | CCOC1=C(C=CC(=C1)[N+](=O)[O-])F |
InChI: | InChI=1S/C8H8FNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3 |
InChI Key: | NGMAAUCSJUUCRU-UHFFFAOYSA-N |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04882128 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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