4-Fluoro-2,3-dimethylbenzoic acid - CAS 1104380-03-1
Catalog: |
BB065244 |
Product Name: |
4-Fluoro-2,3-dimethylbenzoic acid |
CAS: |
1104380-03-1 |
Synonyms: |
4-fluoro-2,3-dimethylbenzoic acid; 4-fluoro-2,3-dimethylbenzoicacid |
IUPAC Name: | 4-fluoro-2,3-dimethylbenzoic acid |
Description: | 4-Fluoro-2,3-dimethylbenzoic acid |
Molecular Weight: | 168.16 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CC1=C(C=CC(=C1C)F)C(=O)O |
InChI: | InChI=1S/C9H9FO2/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
InChI Key: | NCEJJRPDYZFRTB-UHFFFAOYSA-N |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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