4-[(1-Imidazolyl)methyl]phenylboronic Acid - CAS 1228183-01-4
Catalog: |
BB005525 |
Product Name: |
4-[(1-Imidazolyl)methyl]phenylboronic Acid |
CAS: |
1228183-01-4 |
Synonyms: |
[4-(1-imidazolylmethyl)phenyl]boronic acid; [4-(imidazol-1-ylmethyl)phenyl]boronic acid |
IUPAC Name: | [4-(imidazol-1-ylmethyl)phenyl]boronic acid |
Description: | 4-[(1-Imidazolyl)methyl]phenylboronic Acid (CAS# 1228183-01-4) is a useful research chemical and a pharmaceutical intermediate used in the preparation of quinoline derivatives with antituberculosis activity. |
Molecular Weight: | 202.02 |
Molecular Formula: | C10H11N2O2B |
Canonical SMILES: | B(C1=CC=C(C=C1)CN2C=CN=C2)(O)O |
InChI: | InChI=1S/C10H11BN2O2/c14-11(15)10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8,14-15H,7H2 |
InChI Key: | WOPRITIOYMANHW-UHFFFAOYSA-N |
MDL: | MFCD14687238 |
LogP: | -0.38880 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0913578 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0913578 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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