2-Fluoro-4-(methylsulfonyl)benzoic Acid - CAS 142994-04-5
Catalog: |
BB009482 |
Product Name: |
2-Fluoro-4-(methylsulfonyl)benzoic Acid |
CAS: |
142994-04-5 |
Synonyms: |
2-fluoro-4-methylsulfonylbenzoic acid; 2-fluoro-4-methylsulfonylbenzoic acid |
IUPAC Name: | 2-fluoro-4-methylsulfonylbenzoic acid |
Description: | 2-Fluoro-4-(methylsulfonyl)benzoic Acid (CAS# 142994-04-5) is a useful research chemical. |
Molecular Weight: | 218.20 |
Molecular Formula: | C8H7FO4S |
Canonical SMILES: | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)F |
InChI: | InChI=1S/C8H7FO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11) |
InChI Key: | WAIWHRUQKRUWAH-UHFFFAOYSA-N |
LogP: | 2.00820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021026098-A1 | Kif18a inhibitors | 20190802 |
WO-2020227097-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
WO-2020132648-A1 | Kif18a inhibitors | 20181220 |
WO-2020132651-A1 | Kif18a inhibitors | 20181220 |
US-2020239441-A1 | Kif18a inhibitors | 20181220 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.00490804 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.00490804 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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