5-Amino-4-fluoro-2-methylphenol Sulfate - CAS 350482-02-9
Catalog: |
BB074783 |
Product Name: |
5-Amino-4-fluoro-2-methylphenol Sulfate |
CAS: |
350482-02-9 |
Synonyms: |
5-amino-4-fluoro-2-methylphenol; sulfuric acid |
IUPAC Name: | 5-amino-4-fluoro-2-methylphenolsulfuric acid |
Molecular Weight: | 239.22 |
Molecular Formula: | C7H10FNO5S |
Canonical SMILES: | CC1=CC(=C(C=C1O)N)F.OS(=O)(=O)O |
InChI: | InChI=1S/C7H8FNO.H2O4S/c1-4-2-5(8)6(9)3-7(4)101-5(2,3)4/h2-3,10H,9H2,1H3(H2,1,2,3,4) |
InChI Key: | PKTNQSUCNTYVGX-UHFFFAOYSA-N |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.02637176 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.02637176 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 129Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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