3-bromo-1H-indazole-5-carbonitrile - CAS 395101-67-4
Catalog: |
BB024003 |
Product Name: |
3-bromo-1H-indazole-5-carbonitrile |
CAS: |
395101-67-4 |
Synonyms: |
3-bromo-2H-indazole-5-carbonitrile; 3-bromo-2H-indazole-5-carbonitrile |
IUPAC Name: | 3-bromo-2H-indazole-5-carbonitrile |
Description: | 3-bromo-1H-indazole-5-carbonitrile (CAS# 395101-67-4) is a useful research chemical. |
Molecular Weight: | 222.045 |
Molecular Formula: | C8H4BrN3 |
Canonical SMILES: | C1=CC2=NNC(=C2C=C1C#N)Br |
InChI: | InChI=1S/C8H4BrN3/c9-8-6-3-5(4-10)1-2-7(6)11-12-8/h1-3H,(H,11,12) |
InChI Key: | WVHZCDQLDZQYPH-UHFFFAOYSA-N |
Boiling Point: | 425.268 °C at 760 mmHg |
Density: | 1.852 g/cm3 |
MDL: | MFCD09263218 |
LogP: | 2.19708 |
Publication Number | Title | Priority Date |
AU-2015330506-A1 | EGFR inhibitor, and preparation and application thereof | 20141011 |
CA-2959194-A1 | Egfr inhibitor, and preparation and application thereof | 20141011 |
CN-106661000-B | EGFR inhibitor and its preparation and application | 20141011 |
CN-111170999-A | EGFR inhibitor and preparation and application thereof | 20141011 |
CN-111171000-A | EGFR inhibitor and preparation and application thereof | 20141011 |
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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