6-Bromo-1H-indazole-3-carbonitrile - CAS 885278-24-0
Catalog: |
BB038941 |
Product Name: |
6-Bromo-1H-indazole-3-carbonitrile |
CAS: |
885278-24-0 |
Synonyms: |
6-bromo-1H-indazole-3-carbonitrile; 6-bromo-1H-indazole-3-carbonitrile |
IUPAC Name: | 6-bromo-1H-indazole-3-carbonitrile |
Description: | 6-Bromo-1H-indazole-3-carbonitrile (CAS# 885278-24-0) is a useful research chemical. |
Molecular Weight: | 222.04 |
Molecular Formula: | C8H4BrN3 |
Canonical SMILES: | C1=CC2=C(C=C1Br)NN=C2C#N |
InChI: | InChI=1S/C8H4BrN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12) |
InChI Key: | BNMHCHQOAQMIBU-UHFFFAOYSA-N |
MDL: | MFCD06659785 |
LogP: | 2.19708 |
Publication Number | Title | Priority Date |
AU-2015365944-A1 | Hydroxy containing FXR (NR1H4) modulating compounds | 20141217 |
AU-2015365944-B2 | Hydroxy containing FXR (NR1H4) modulating compounds | 20141217 |
BR-102015031718-A2 | fxr (nr1h4) modulating compounds containing hydroxy | 20141217 |
CA-2971240-A1 | Hydroxy containing fxr (nr1h4) modulating compounds | 20141217 |
CA-2971240-C | Hydroxy containing fxr (nr1h4) modulating compounds | 20141217 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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