8-Chloroisoquinoline-5-carbonitrile - CAS 1256463-61-2
Catalog: |
BB006174 |
Product Name: |
8-Chloroisoquinoline-5-carbonitrile |
CAS: |
1256463-61-2 |
Synonyms: |
8-chloro-5-isoquinolinecarbonitrile; 8-chloroisoquinoline-5-carbonitrile |
IUPAC Name: | 8-chloroisoquinoline-5-carbonitrile |
Description: | 8-Chloroisoquinoline-5-carbonitrile (CAS# 1256463-61-2 ) is a useful research chemical. |
Molecular Weight: | 188.61 |
Molecular Formula: | C10H5ClN2 |
Canonical SMILES: | C1=CC(=C2C=NC=CC2=C1C#N)Cl |
InChI: | InChI=1S/C10H5ClN2/c11-10-2-1-7(5-12)8-3-4-13-6-9(8)10/h1-4,6H |
InChI Key: | HFTNMUIHUJISBT-UHFFFAOYSA-N |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0141259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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