B- (1- Methyl- 1H- imidazol- 4- yl) - boronic Acid - CAS 957720-01-3
Catalog: |
BB059539 |
Product Name: |
B- (1- Methyl- 1H- imidazol- 4- yl) - boronic Acid |
CAS: |
957720-01-3 |
Synonyms: |
(1-methyl-1H-imidazol-4-yl)boronic acid; B-(1-Methyl-1H-imidazol-4-yl)boronic acid; B-(1-methyl-1H-imidazol-4-yl)- Boronic acid; (1-methylimidazol-4-yl)boronic acid; 1-Methyl-1H-imidazol-4-ylboronic acid |
IUPAC Name: | (1-methylimidazol-4-yl)boronic acid |
Description: | B- (1- Methyl- 1H- imidazol- 4- yl) - boronic Acid is a reagent used in the synthesis of LRRK2 inihibitors. |
Molecular Weight: | 125.92 |
Molecular Formula: | C4H7BN2O2 |
Canonical SMILES: | B(C1=CN(C=N1)C)(O)O |
InChI: | InChI=1S/C4H7BN2O2/c1-7-2-4(5(8)9)6-3-7/h2-3,8-9H,1H3 |
InChI Key: | OFMUVGASVDGYKV-UHFFFAOYSA-N |
References: | Smith, G. et al. Bioorg. Med. Chem. Lett., 27, 4500 (2017). |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.0600576 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.0600576 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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