(1H-1,3-benzodiazol-5-yl)boronic acid - CAS 1228183-22-9
Catalog: |
BB005526 |
Product Name: |
(1H-1,3-benzodiazol-5-yl)boronic acid |
CAS: |
1228183-22-9 |
Synonyms: |
3H-benzimidazol-5-ylboronic acid; 3H-benzimidazol-5-ylboronic acid |
IUPAC Name: | 3H-benzimidazol-5-ylboronic acid |
Description: | (1H-1,3-benzodiazol-5-yl)boronic acid (CAS# 1228183-22-9) is a useful research chemical. |
Molecular Weight: | 161.955 |
Molecular Formula: | C7H7BN2O2 |
Canonical SMILES: | B(C1=CC2=C(C=C1)N=CN2)(O)O |
InChI: | InChI=1S/C7H7BN2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4,11-12H,(H,9,10) |
InChI Key: | PJLWYAFHMUXYCI-UHFFFAOYSA-N |
LogP: | -0.75730 |
Publication Number | Title | Priority Date |
WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 20200115 |
WO-2021088787-A1 | Quinazoline compound used as axl inhibitor | 20191107 |
BR-112020009757-A2 | polycyclic compounds as allosteric inhibitors of shp2 | 20171215 |
CN-111433205-A | Polycyclic compounds as allosteric SHP2 inhibitors | 20171215 |
US-2020407372-A1 | Polycyclic compounds as allosteric shp2 inhibitors | 20171215 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.0600576 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.0600576 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Benzimidazoles
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