2-Fluoro-3-hydroxyphenylacetic Acid - CAS 1213229-25-4
Catalog: |
BB065330 |
Product Name: |
2-Fluoro-3-hydroxyphenylacetic Acid |
CAS: |
1213229-25-4 |
Synonyms: |
2-(2-fluoro-3-hydroxyphenyl)acetic acid; 2-fluoro-3-hydroxyphenylacetic acid; 2-(2-fluoro-3-hydroxyphenyl)aceticacid |
IUPAC Name: | 2-(2-fluoro-3-hydroxyphenyl)acetic acid |
Molecular Weight: | 170.13 |
Molecular Formula: | C8H7O3F |
Canonical SMILES: | C1=CC(=C(C(=C1)O)F)CC(=O)O |
InChI: | InChI=1S/C8H7FO3/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3,10H,4H2,(H,11,12) |
InChI Key: | PLTNQWSUMWOLKL-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03792224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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