2-Chloro-3-fluorobenzoic Acid - CAS 102940-86-3
Catalog: |
BB000969 |
Product Name: |
2-Chloro-3-fluorobenzoic Acid |
CAS: |
102940-86-3 |
Synonyms: |
2-chloro-3-fluorobenzoic acid; 2-chloro-3-fluorobenzoic acid |
IUPAC Name: | 2-chloro-3-fluorobenzoic acid |
Description: | 2-Chloro-3-fluorobenzoic Acid (CAS# 102940-86-3) is a useful synthetic intermediate. It can be used to synthesize aminobenzhydrol derivatives containing pendant cyclic amines as inhibitors of squalene synthase and cholesterol synthase. It can also be used to prepare aryl aminopyrazole benzamides as oral non-steroidal selective glucocorticoid receptor agonists. |
Molecular Weight: | 174.56 |
Molecular Formula: | C7H4ClFO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)Cl)C(=O)O |
InChI: | InChI=1S/C7H4ClFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11) |
InChI Key: | WJYAYXKXZNITAZ-UHFFFAOYSA-N |
Boiling Point: | 279.5 °C at 760 mmHg |
Density: | 1.477 g/cm3 |
MDL: | MFCD00973903 |
LogP: | 2.17730 |
GHS Hazard Statement: | H315 (90%): 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 |
WO-2021016333-A1 | Aryl sulfonamides as small molecule stat3 inhibitors | 20190722 |
CN-111647000-A | Pyrazine derivative and application thereof in inhibition of SHP2 | 20190304 |
WO-2020177653-A1 | Pyrazine derivative and application thereof in inhibiting shp2 | 20190304 |
CN-111647000-B | Pyrazine derivative and application thereof in inhibition of SHP2 | 20190304 |
CN-113474338-A | Pyrazine derivative and application thereof in inhibition of SHP2 | 20190304 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.9883852 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.9883852 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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