1-Chloroisoquinoline-8-carbonitrile - CAS 1231761-24-2
Catalog: |
BB073099 |
Product Name: |
1-Chloroisoquinoline-8-carbonitrile |
CAS: |
1231761-24-2 |
Synonyms: |
1-Chloroisoquinoline-8-carbonitrile; 8-Isoquinolinecarbonitrile, 1-chloro- |
IUPAC Name: | 1-chloroisoquinoline-8-carbonitrile |
Molecular Weight: | 188.61 |
Molecular Formula: | C10H5N2Cl |
Canonical SMILES: | C1=CC2=C(C(=C1)C#N)C(=NC=C2)Cl |
InChI: | InChI=1S/C10H5ClN2/c11-10-9-7(4-5-13-10)2-1-3-8(9)6-12/h1-5H |
InChI Key: | VWETWCDYGCJQFI-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: | 36.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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