4-Fluoro-5-methoxy-2-nitrobenzoic acid - CAS 864293-50-5
Catalog: |
BB065024 |
Product Name: |
4-Fluoro-5-methoxy-2-nitrobenzoic acid |
CAS: |
864293-50-5 |
Synonyms: |
4-Fluoro-5-methoxy-2-nitrobenzoic acid; 4-Fluoro-5-methoxy-2-nitrobenzoicacid |
IUPAC Name: | 4-fluoro-5-methoxy-2-nitrobenzoic acid |
Description: | 4-Fluoro-5-methoxy-2-nitrobenzoic acid |
Molecular Weight: | 215.14 |
Molecular Formula: | C8H6FNO5 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])F |
InChI: | InChI=1S/C8H6FNO5/c1-15-7-2-4(8(11)12)6(10(13)14)3-5(7)9/h2-3H,1H3,(H,11,12) |
InChI Key: | MGLFJUZFMICSSW-UHFFFAOYSA-N |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.02300045 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.02300045 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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