2-Amino-4-fluoro-3-methoxybenzoic Acid - CAS 126480-32-8
Catalog: |
BB006591 |
Product Name: |
2-Amino-4-fluoro-3-methoxybenzoic Acid |
CAS: |
126480-32-8 |
Synonyms: |
2-amino-4-fluoro-3-methoxybenzoic acid; 2-amino-4-fluoro-3-methoxybenzoic acid |
IUPAC Name: | 2-amino-4-fluoro-3-methoxybenzoic acid |
Description: | 2-Amino-4-fluoro-3-methoxybenzoic Acid (CAS# 126480-32-8) is used in the synthesis of 4-Halo-3-hydroanthranilic Acids as oxygenase inhibitors in rat and human brain tissue. |
Molecular Weight: | 185.15 |
Molecular Formula: | C8H8FNO3 |
Canonical SMILES: | COC1=C(C=CC(=C1N)C(=O)O)F |
InChI: | InChI=1S/C8H8FNO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
InChI Key: | GDMDGZTWBKBRRA-UHFFFAOYSA-N |
Boiling Point: | 346.855 °C at 760 mmHg |
Density: | 1.398 g/cm3 |
LogP: | 1.69590 |
Publication Number | Title | Priority Date |
EP-3619205-A1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
TW-201906834-A | Inhibitor of human immunodeficiency virus replication | 20170502 |
WO-2018203235-A1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
JP-2020518601-A | Inhibitors of human immunodeficiency virus replication | 20170502 |
US-10954252-B1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04882128 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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