4-Fluoro-2-methoxybenzoic acid - CAS 395-82-4
Catalog: |
BB024042 |
Product Name: |
4-Fluoro-2-methoxybenzoic acid |
CAS: |
395-82-4 |
Synonyms: |
Benzoic acid, 4-fluoro-2-methoxy-; 4-Fluoro-o-anisic acid |
IUPAC Name: | 4-fluoro-2-methoxybenzoic acid |
Molecular Weight: | 170.14 |
Molecular Formula: | C8H7FO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)F)C(=O)O |
InChI: | InChI=1S/C8H7FO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | UUQDNAPKWPKHMK-UHFFFAOYSA-N |
Boiling Point: | 93°C at 10 Torr |
Melting Point: | 136°C |
Purity: | ≥95% |
Density: | 1.307±0.06 g/cm3 |
Appearance: | White to Almost White Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00673010 |
LogP: | 1.53250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03792224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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