3-Fluoro-4-methylbenzenesulfonyl chloride - CAS 90260-13-2
Catalog: |
BB039801 |
Product Name: |
3-Fluoro-4-methylbenzenesulfonyl chloride |
CAS: |
90260-13-2 |
Synonyms: |
3-fluoro-4-methylbenzenesulfonyl chloride |
IUPAC Name: | 3-fluoro-4-methylbenzenesulfonyl chloride |
Description: | 3-Fluoro-4-methylbenzenesulfonyl Chloride can be prepared to use as GCN2 modulators to treat, prevent, ameliorate, control, or reduce disorders related to GCN2. |
Molecular Weight: | 208.64 |
Molecular Formula: | C7H6ClFO2S |
Canonical SMILES: | CC1=C(C=C(C=C1)S(=O)(=O)Cl)F |
InChI: | InChI=1S/C7H6ClFO2S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4H,1H3 |
InChI Key: | YDUHIMCRFRIVFI-UHFFFAOYSA-N |
Boiling Point: | 258.6 °C at 760 mmHg |
Melting Point: | 42 °C |
Purity: | 95 % |
Density: | 1.423 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD03094389 |
LogP: | 3.14240 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112724052-B | GPR101 protein receptor inhibitor and preparation and application thereof | 20210121 |
CN-112552309-A | Psoralen benzene sulfonate derivative and application thereof | 20201217 |
WO-2021165346-A1 | Gcn2 modulator compounds | 20200217 |
WO-2020148703-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20190116 |
WO-2019131922-A1 | Aryloxy compound | 20171227 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9761065 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9761065 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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