2-Chloro-1-methylimidazole-5-boronic Acid Pinacol Ester - CAS 1315281-29-8
Catalog: |
BB007436 |
Product Name: |
2-Chloro-1-methylimidazole-5-boronic Acid Pinacol Ester |
CAS: |
1315281-29-8 |
Synonyms: |
2-chloro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole; 2-chloro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole |
IUPAC Name: | 2-chloro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole |
Description: | 2-Chloro-1-methylimidazole-5-boronic Acid Pinacol Ester (CAS# 1315281-29-8) is a useful research chemical. |
Molecular Weight: | 242.51 |
Molecular Formula: | C10H16ClN2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N2C)Cl |
InChI: | InChI=1S/C10H16BClN2O2/c1-9(2)10(3,4)16-11(15-9)7-6-13-8(12)14(7)5/h6H,1-5H3 |
InChI Key: | MOQXZCYTVMKINQ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.37270 |
Publication Number | Title | Priority Date |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
TW-202039447-A | 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 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
WO-2019180646-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0993356 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0993356 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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