(5-Methyl-1H-indol-3-yl)boronic Acid - CAS 2271356-93-3
Catalog: |
BB060294 |
Product Name: |
(5-Methyl-1H-indol-3-yl)boronic Acid |
CAS: |
2271356-93-3 |
Synonyms: |
(5-methyl-1H-indol-3-yl)boronic acid |
IUPAC Name: | (5-methyl-1H-indol-3-yl)boronic acid |
Description: | (5-Methyl-1H-indol-3-yl)boronic Acid used in preparation of Quinazolinone derivatives, as doxorubicin potentiating agents. |
Molecular Weight: | 174.99 |
Molecular Formula: | C9H10BNO2 |
Canonical SMILES: | B(C1=CNC2=C1C=C(C=C2)C)(O)O |
InChI: | InChI=1S/C9H10BNO2/c1-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11-13H,1H3 |
InChI Key: | XBAVWPRHGUAEOG-UHFFFAOYSA-N |
References: | Pospisilova, M., et al. Bioorganic Chemistry, 82, 204-210 (2019). |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0804587 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0804587 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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