3-Amino-4-fluoro-5-hydroxybenzoic Acid - CAS 1025127-41-6
Catalog: |
BB074409 |
Product Name: |
3-Amino-4-fluoro-5-hydroxybenzoic Acid |
CAS: |
1025127-41-6 |
Synonyms: |
3-amino-4-fluoro-5-hydroxybenzoic acid |
IUPAC Name: | 3-amino-4-fluoro-5-hydroxybenzoic acid |
Molecular Weight: | 171.13 |
Molecular Formula: | C7H6FNO3 |
Canonical SMILES: | C1=C(C=C(C(=C1N)F)O)C(=O)O |
InChI: | InChI=1S/C7H6FNO3/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,10H,9H2,(H,11,12) |
InChI Key: | DHKZUTGJFRVSSV-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.03317122 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.03317122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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