6-Bromo-1H-indazole-3-carbaldehyde - CAS 885271-72-7
Catalog: |
BB038920 |
Product Name: |
6-Bromo-1H-indazole-3-carbaldehyde |
CAS: |
885271-72-7 |
Synonyms: |
6-bromo-2H-indazole-3-carboxaldehyde; 6-bromo-2H-indazole-3-carbaldehyde |
IUPAC Name: | 6-bromo-2H-indazole-3-carbaldehyde |
Description: | 6-Bromo-1H-indazole-3-carbaldehyde (CAS# 885271-72-7) is a useful research chemical. |
Molecular Weight: | 225.04 |
Molecular Formula: | C8H5BrN2O |
Canonical SMILES: | C1=CC2=C(NN=C2C=C1Br)C=O |
InChI: | InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11) |
InChI Key: | RQQKGUPOPZJRLE-UHFFFAOYSA-N |
Boiling Point: | 414.1 °C at 760 mmHg |
Density: | 1.83 g/cm3 |
MDL: | MFCD06738286 |
LogP: | 2.13790 |
Publication Number | Title | Priority Date |
WO-2021014172-A1 | Pyridine derivatives as calcium-activated chloride channel modulators | 20190724 |
CN-111606908-A | JAK inhibitor compounds and uses thereof | 20190225 |
CN-111606908-B | JAK inhibitor compounds and uses thereof | 20190225 |
US-2020197391-A1 | Compounds that participate in cooperative binding and uses thereof | 20181221 |
WO-2020132597-A1 | Compounds that participate in cooperative binding and uses thereof | 20181221 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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