1-Methylindole-5-boronic Acid Pinacol Ester - CAS 837392-62-8
Catalog: |
BB037084 |
Product Name: |
1-Methylindole-5-boronic Acid Pinacol Ester |
CAS: |
837392-62-8 |
Synonyms: |
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole; 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole |
IUPAC Name: | 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole |
Description: | 1-Methylindole-5-boronic Acid Pinacol Ester (CAS# 837392-62-8) is a useful research chemical. |
Molecular Weight: | 257.14 |
Molecular Formula: | C15H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)C |
InChI: | InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-10H,1-5H3 |
InChI Key: | JQLYKUPEQYNDFF-UHFFFAOYSA-N |
Boiling Point: | 391.324 °C at 760 mmHg |
Melting Point: | 110-114 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.055 g/cm3 |
LogP: | 2.47750 |
Publication Number | Title | Priority Date |
CN-113264937-A | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 20210608 |
US-2020206216-A1 | Inhibitors of fibroblast activation protein | 20181221 |
KR-20200091422-A | Pyridinone derivatives and their use as selective ALK-2 inhibitors | 20171124 |
US-10654834-B2 | Non-systemic TGR5 agonists | 20160701 |
US-2019330191-A1 | Novel non-systemic tgr5 agonists | 20160701 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.158709 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.158709 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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