[1-(Methylsulfonyl)-4-pyrazolyl]boronic Acid - CAS 1201643-87-9
Catalog: |
BB004739 |
Product Name: |
[1-(Methylsulfonyl)-4-pyrazolyl]boronic Acid |
CAS: |
1201643-87-9 |
Synonyms: |
(1-methylsulfonyl-4-pyrazolyl)boronic acid; (1-methylsulfonylpyrazol-4-yl)boronic acid |
IUPAC Name: | (1-methylsulfonylpyrazol-4-yl)boronic acid |
Description: | [1-(Methylsulfonyl)-4-pyrazolyl]boronic Acid (CAS# 1201643-87-9 ) is a useful research chemical. |
Molecular Weight: | 189.99 |
Molecular Formula: | C4H7N2O4SB |
Canonical SMILES: | B(C1=CN(N=C1)S(=O)(=O)C)(O)O |
InChI: | InChI=1S/C4H7BN2O4S/c1-12(10,11)7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3 |
InChI Key: | XZYOYYJSMXNCEW-UHFFFAOYSA-N |
LogP: | -1.54860 |
Publication Number | Title | Priority Date |
WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 20181214 |
EP-3894398-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
KR-20210092312-A | 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.021958 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.021958 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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