5-Bromo-4-chloro-2-fluorobenzoic Acid - CAS 289038-22-8
Catalog: |
BB020001 |
Product Name: |
5-Bromo-4-chloro-2-fluorobenzoic Acid |
CAS: |
289038-22-8 |
Synonyms: |
5-bromo-4-chloro-2-fluorobenzoic acid; 5-bromo-4-chloro-2-fluorobenzoic acid |
IUPAC Name: | 5-bromo-4-chloro-2-fluorobenzoic acid |
Description: | 5-Bromo-4-chloro-2-fluorobenzoic Acid (CAS# 289038-22-8) is a useful research chemical. |
Molecular Weight: | 253.45 |
Molecular Formula: | C7H3BrClFO2 |
Canonical SMILES: | C1=C(C(=CC(=C1Br)Cl)F)C(=O)O |
InChI: | InChI=1S/C7H3BrClFO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12) |
InChI Key: | GJVIVXZNTOVQRG-UHFFFAOYSA-N |
Boiling Point: | 329.1 °C at 760 mmHg |
Density: | 1.887 g/cm3 |
LogP: | 2.93980 |
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 |
EP-3512837-A1 | Pyridine and pyrazine compounds as inhibitors of ripk2 | 20160915 |
JP-2019529413-A | Pyridine and pyrazine compounds as inhibitors of RIPK2 | 20160915 |
TW-201823228-A | Pyridine and pyrazine compounds as RIPK2 inhibitors | 20160915 |
US-10138222-B2 | Substituted benzamides as RIPK2 inhibitors | 20160915 |
US-2018072703-A1 | Pyridine and pyrazine compounds as inhibitors of ripk2 | 20160915 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.89890 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.89890 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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