2-Fluorohexanoic Acid - CAS 1578-57-0
Catalog: |
BB065358 |
Product Name: |
2-Fluorohexanoic Acid |
CAS: |
1578-57-0 |
Synonyms: |
(±)-2-Fluorohexanoic Acid; NSC 84355 |
IUPAC Name: | 2-fluorohexanoic acid |
Molecular Weight: | 134.15 |
Molecular Formula: | C6H11FO2 |
Canonical SMILES: | CCCCC(C(=O)O)F |
InChI: | InChI=1S/C6H11FO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9) |
InChI Key: | CDWPBSAPAJJTHA-UHFFFAOYSA-N |
Complexity: | 93.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.07430775 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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