2-Fluoro-4-methoxybenzoic acid - CAS 394-42-3
Catalog: |
BB023987 |
Product Name: |
2-Fluoro-4-methoxybenzoic acid |
CAS: |
394-42-3 |
Synonyms: |
Benzoic acid, 2-fluoro-4-methoxy- |
IUPAC Name: | 2-fluoro-4-methoxybenzoic acid |
Molecular Weight: | 170.14 |
Molecular Formula: | C8H7FO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)C(=O)O)F |
InChI: | InChI=1S/C8H7FO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11) |
InChI Key: | UPWMPIKNUXTWFP-UHFFFAOYSA-N |
Boiling Point: | 257.8±20.0°C at 760 mmHg |
Melting Point: | 192°C |
Purity: | 95% |
Density: | 1.307±0.06 g/cm3 |
MDL: | MFCD00509373 |
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: | 1.9 |
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