5-Bromo-1H-indazole-3-carbonitrile - CAS 201227-39-6
Catalog: |
BB015665 |
Product Name: |
5-Bromo-1H-indazole-3-carbonitrile |
CAS: |
201227-39-6 |
Synonyms: |
5-bromo-1H-indazole-3-carbonitrile; 5-bromo-1H-indazole-3-carbonitrile |
IUPAC Name: | 5-bromo-1H-indazole-3-carbonitrile |
Description: | 5-Bromo-1H-indazole-3-carbonitrile (CAS# 201227-39-6) is a useful research chemical. |
Molecular Weight: | 222.04 |
Molecular Formula: | C8H4BrN3 |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=NN2)C#N |
InChI: | InChI=1S/C8H4BrN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12) |
InChI Key: | QIULWQLXNFSZJG-UHFFFAOYSA-N |
Boiling Point: | 425.268 °C at 760 mmHg |
Density: | 1.852 g/cm3 |
LogP: | 2.19708 |
Publication Number | Title | Priority Date |
CN-111995577-A | Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof | 20200909 |
US-2020040039-A1 | Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound | 20170321 |
AU-2017213768-A1 | Benzopyrazole compounds and analogues thereof | 20160201 |
EP-3411411-A1 | Benzopyrazole compounds and analogues thereof | 20160201 |
JP-2019507130-A | Benzopyrazole compounds and their analogues | 20160201 |
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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