2-Amino-5-bromo-4-fluorobenzoic Acid - CAS 143945-65-7
Catalog: |
BB009694 |
Product Name: |
2-Amino-5-bromo-4-fluorobenzoic Acid |
CAS: |
143945-65-7 |
Synonyms: |
2-amino-5-bromo-4-fluorobenzoic acid; 2-amino-5-bromo-4-fluorobenzoic acid |
IUPAC Name: | 2-amino-5-bromo-4-fluorobenzoic acid |
Description: | 2-Amino-5-bromo-4-fluorobenzoic Acid (CAS# 143945-65-7) is a useful research chemical. |
Molecular Weight: | 234.02 |
Molecular Formula: | C7H5BrFNO2 |
Canonical SMILES: | C1=C(C(=CC(=C1Br)F)N)C(=O)O |
InChI: | InChI=1S/C7H5BrFNO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12) |
InChI Key: | RPHQHEBXMAGQKB-UHFFFAOYSA-N |
LogP: | 2.44980 |
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 |
Publication Number | Title | Priority Date |
JP-6912016-B1 | STING working compound | 20200410 |
WO-2021205631-A1 | Sting agonistic compound | 20200410 |
WO-2021206158-A1 | Method of cancer therapy | 20200410 |
WO-2021206160-A1 | Antibody-drug complex | 20200410 |
WO-2021084500-A1 | Fluorinated quinoline and quinoxaline derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases | 20191101 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.94877 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.94877 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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