| CAS Number | 223671-30-5 |
| Catalog Number | AG00C1AB(AGN-PC-0WOHII) |
| Chemical Name | 1-Chloroisoquinoline-7-carbonitrile |
| IUPAC Name | 1-chloroisoquinoline-7-carbonitrile |
| InChI | InChI=1S/C10H5ClN2/c11-10-9-5-7(6-12)1-2-8(9)3-4-13-10/h1-5H |
| InChI Key | KFJHRPRUORFITO-UHFFFAOYSA-N |
| MDL Number | MFCD20327971 |
| Molecular Formula | C10H5ClN2 |
| Molecular Weight | 188.6131 |
| SMILES | N#Cc1ccc2c(c1)c(Cl)ncc2 |
| Synonyms | 1-chloroisoquinoline-7-carbonitrile,
223671-30-5,
SCHEMBL7000372,
ZX-AT000883,
MFCD20327971,
ZINC82766579,
7-Isoquinolinecarbonitrile, 1-chloro-,
AKOS022879576,
FCH1602645,
OR300066,
C-0433,
1-Chloro-7-isoquinolinecarboxylic acid; Nitrile,
1-chloro-7-cyanoisoquinoline,
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| 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
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Certificate of Analysis
Lot Number