| CAS Number | 1231761-23-1 |
| Catalog Number | AG00AA3U(AGN-PC-0WNO9I) |
| Chemical Name | 1-Chloroisoquinoline-5-carbonitrile |
| IUPAC Name | 1-chloroisoquinoline-5-carbonitrile |
| InChI | InChI=1S/C10H5ClN2/c11-10-9-3-1-2-7(6-12)8(9)4-5-13-10/h1-5H |
| InChI Key | CXFDSWMDWPVWKF-UHFFFAOYSA-N |
| MDL Number | MFCD18250893 |
| Molecular Formula | C10H5ClN2 |
| Molecular Weight | 188.6131 |
| SMILES | ClC1=NC=CC2=C(C#N)C=CC=C12 |
| Synonyms | 1-CHLOROISOQUINOLINE-5-CARBONITRILE,
1231761-23-1,
SCHEMBL6999828,
ZX-AT001720,
MFCD18250893,
ZINC82766577,
5-Isoquinolinecarbonitrile, 1-chloro-,
AB73869,
FCH1150096,
AK192228,
AS-40858,
OR300058,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.614g/mol |
| Monoisotopic Mass | 188.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number