4-Fluoro-3-methylbenzenesulfonyl chloride - CAS 629672-19-1
Catalog: |
BB031907 |
Product Name: |
4-Fluoro-3-methylbenzenesulfonyl chloride |
CAS: |
629672-19-1 |
Synonyms: |
4-fluoro-3-methylbenzenesulfonyl chloride |
IUPAC Name: | 4-fluoro-3-methylbenzenesulfonyl chloride |
Description: | 4-Fluoro-3-methylbenzenesulfonyl chloride (CAS# 629672-19-1) is a useful research chemical. |
Molecular Weight: | 208.64 |
Molecular Formula: | C7H6ClFO2S |
Canonical SMILES: | CC1=C(C=CC(=C1)S(=O)(=O)Cl)F |
InChI: | InChI=1S/C7H6ClFO2S/c1-5-4-6(12(8,10)11)2-3-7(5)9/h2-4H,1H3 |
InChI Key: | ALEQALYEZFNWOP-UHFFFAOYSA-N |
Boiling Point: | 287.5 °C at 760 mmHg |
Density: | 1.423 g/cm3 |
Appearance: | Solid |
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 |
WO-2021165346-A1 | Gcn2 modulator compounds | 20200217 |
WO-2020148703-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20190116 |
US-2021221788-A1 | Method for preparing sulfonamides drugs | 20190104 |
CN-111377849-A | Compound, pharmaceutically acceptable salt thereof and medical application thereof | 20181228 |
US-2021147398-A1 | Novel lxr modulators with bicyclic core moiety | 20180628 |
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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