Isoquinoline-4-carbonitrile - CAS 34846-65-6
Catalog: |
BB022327 |
Product Name: |
Isoquinoline-4-carbonitrile |
CAS: |
34846-65-6 |
Synonyms: |
4-isoquinolinecarbonitrile; isoquinoline-4-carbonitrile |
IUPAC Name: | isoquinoline-4-carbonitrile |
Description: | Isoquinoline-4-carbonitrile (CAS# 34846-65-6) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C10H6N2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=NC=C2C#N |
InChI: | InChI=1S/C10H6N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H |
InChI Key: | NPDZTCFGRSYTPF-UHFFFAOYSA-N |
Boiling Point: | 329.1 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD00957039 |
LogP: | 2.10648 |
Publication Number | Title | Priority Date |
CN-111606823-A | Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder | 20200624 |
WO-2021194914-A1 | Substituted oxoisoindoline compounds for the treatment of cancer | 20200323 |
WO-2021173524-A1 | Sos1 inhibitors | 20200224 |
CN-110606716-A | Construction method of indoor partition wall | 20191015 |
CN-109678755-A | It is a kind of using formamide as the preparation method of the fragrant nitrile in cyanogen source | 20181226 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0530982 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0530982 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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