Methyl 4-Fluoro-3-methoxy-5-nitrobenzoate - CAS 1951444-68-0
Catalog: |
BB059622 |
Product Name: |
Methyl 4-Fluoro-3-methoxy-5-nitrobenzoate |
CAS: |
1951444-68-0 |
Synonyms: |
Methyl 4-fluoro-3-methoxy-5-nitrobenzoate;Methyl4-fluoro-3-methoxy-5-nitrobenzoate |
IUPAC Name: | methyl 4-fluoro-3-methoxy-5-nitrobenzoate |
Description: | Methyl 4-Fluoro-3-methoxy-5-nitrobenzoate is a useful research chemical. |
Molecular Weight: | 229.16 |
Molecular Formula: | C9H8FNO5 |
Canonical SMILES: | COC1=CC(=CC(=C1F)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C9H8FNO5/c1-15-7-4-5(9(12)16-2)3-6(8(7)10)11(13)14/h3-4H,1-2H3 |
InChI Key: | XGBXDFAPUUAAHB-UHFFFAOYSA-N |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.03865052 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.03865052 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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