Benzotriazole-5-boronic Acid - CAS 183282-45-3
Catalog: |
BB014045 |
Product Name: |
Benzotriazole-5-boronic Acid |
CAS: |
183282-45-3 |
Synonyms: |
2H-benzotriazol-5-ylboronic acid; 2H-benzotriazol-5-ylboronic acid |
IUPAC Name: | 2H-benzotriazol-5-ylboronic acid |
Description: | Benzotriazole-5-boronic Acid (CAS# 183282-45-3) is a useful research chemical. |
Molecular Weight: | 162.94 |
Molecular Formula: | C6H6N3O2B |
Canonical SMILES: | B(C1=CC2=NNN=C2C=C1)(O)O |
InChI: | InChI=1S/C6H6BN3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3,11-12H,(H,8,9,10) |
InChI Key: | FXWWSHVAIPUGQM-UHFFFAOYSA-N |
LogP: | -1.36230 |
Publication Number | Title | Priority Date |
US-2019300569-A1 | Peptide macrocycles against acinetobacter baumannii | 20180328 |
CA-3001452-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
EP-3371151-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
JP-2018534276-A | Compounds for cancer treatment and epigenetics | 20151009 |
US-2019071416-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0553066 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0553066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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