4-Difluoromethoxy-3-hydroxybenzaldehyde - CAS 151103-08-1
Catalog: |
BB010609 |
Product Name: |
4-Difluoromethoxy-3-hydroxybenzaldehyde |
CAS: |
151103-08-1 |
Synonyms: |
4-(difluoromethoxy)-3-hydroxybenzaldehyde |
IUPAC Name: | 4-(difluoromethoxy)-3-hydroxybenzaldehyde |
Description: | A phenyl alkyl ketone derivative used in the preparation of phosphodiesterase-4 (PDE4) inhibitors. |
Molecular Weight: | 188.13 |
Molecular Formula: | C8H6F2O3 |
Canonical SMILES: | C1=CC(=C(C=C1C=O)O)OC(F)F |
InChI: | InChI=1S/C8H6F2O3/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-4,8,12H |
InChI Key: | ZLIKNROJGXXNJG-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.883 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04406687 |
LogP: | 1.80610 |
GHS Hazard Statement: | H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02850037 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02850037 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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