2-(2,6-Difluoro-4-methoxyphenyl)acetic Acid - CAS 886498-98-2
Catalog: |
BB039104 |
Product Name: |
2-(2,6-Difluoro-4-methoxyphenyl)acetic Acid |
CAS: |
886498-98-2 |
Synonyms: |
2-(2,6-difluoro-4-methoxyphenyl)acetic acid; 2-(2,6-difluoro-4-methoxyphenyl)acetic acid |
IUPAC Name: | 2-(2,6-difluoro-4-methoxyphenyl)acetic acid |
Description: | 2-(2,6-Difluoro-4-methoxyphenyl)acetic Acid (CAS# 886498-98-2) is a useful research chemical. |
Molecular Weight: | 202.15 |
Molecular Formula: | C9H8F2O3 |
Canonical SMILES: | COC1=CC(=C(C(=C1)F)CC(=O)O)F |
InChI: | InChI=1S/C9H8F2O3/c1-14-5-2-7(10)6(4-9(12)13)8(11)3-5/h2-3H,4H2,1H3,(H,12,13) |
InChI Key: | KXWRAINJKJTUDG-UHFFFAOYSA-N |
Boiling Point: | 269.4 °C at 760 mmHg |
Density: | 1.354 g/cm3 |
Appearance: | Powder |
MDL: | MFCD04115927 |
LogP: | 1.60050 |
Publication Number | Title | Priority Date |
AU-2018283053-A1 | Imidazole-containing inhibitors of ALK2 kinase | 20170615 |
CN-110913855-A | Imidazole-containing ALK2 kinase inhibitors | 20170615 |
EP-3638229-A1 | Imidazole-containing inhibitors of alk2 kinase | 20170615 |
KR-20200028939-A | ALK2 kinase inhibitors containing imidazole | 20170615 |
TW-201904958-A | Imidazole-free ALK2 kinase inhibitor | 20170615 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.04415044 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.04415044 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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