3-Fluoro-4-formylbenzoic acid - CAS 193290-80-1
Catalog: |
BB065291 |
Product Name: |
3-Fluoro-4-formylbenzoic acid |
CAS: |
193290-80-1 |
Synonyms: |
3-Fluoro-4-formylbenzoic acid; Benzoic acid, 3-fluoro-4-formyl-; 3-Fluoro-4-formylbenzoicacid; 3-Fluoro-4-formyl benzoic acid |
IUPAC Name: | 3-fluoro-4-formylbenzoic acid |
Molecular Weight: | 168.12 |
Molecular Formula: | C8H5FO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)F)C=O |
InChI: | InChI=1S/C8H5FO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-4H,(H,11,12) |
InChI Key: | GJJKOIYVMNOZSD-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.02227218 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.02227218 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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