5-Amino-2,4-difluorobenzoic Acid - CAS 639858-45-0
Catalog: |
BB032338 |
Product Name: |
5-Amino-2,4-difluorobenzoic Acid |
CAS: |
639858-45-0 |
Synonyms: |
5-amino-2,4-difluorobenzoic acid; 5-amino-2,4-difluorobenzoic acid |
IUPAC Name: | 5-amino-2,4-difluorobenzoic acid |
Description: | 5-Amino-2,4-difluorobenzoic Acid (CAS# 639858-45-0) is used in the preparation of dual vascular endothelial growth factor receptor-2 and fibroblast growth factor receptor-1 inhibitors. |
Molecular Weight: | 173.12 |
Molecular Formula: | C7H5F2NO2 |
Canonical SMILES: | C1=C(C(=CC(=C1N)F)F)C(=O)O |
InChI: | InChI=1S/C7H5F2NO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12) |
InChI Key: | AMOPVOVLPZDNMD-UHFFFAOYSA-N |
MDL: | MFCD07368848 |
LogP: | 1.82640 |
Publication Number | Title | Priority Date |
WO-2020143385-A1 | Arylamide inhibitor, preparation method therefor and application thereof | 20190109 |
BE-1026602-A1 | NON-BRAIN A2A INHIBITORS AND METHODS OF USE IN THE TREATMENT OF CANCERS | 20180927 |
US-2020102319-A1 | Non brain penetrant a2a inhibitors and methods for use in the treatment of cancers | 20180927 |
AU-2018246355-A1 | 2-oxo-thiazole derivatives as A2A inhibitors and compounds for use in the treatment of cancers | 20170330 |
BR-112019020421-A2 | 2-oxo-thiazole derivatives as a2a inhibitors and compounds for use in the treatment of cancers | 20170330 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02883473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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