| CAS Number | 1260664-41-2 |
| Catalog Number | AG000QZF(AGN-PC-0J0XZ9) |
| Chemical Name | 1-Chloroisoquinoline-6-carbonitrile |
| IUPAC Name | 1-chloroisoquinoline-6-carbonitrile |
| InChI | InChI=1S/C10H5ClN2/c11-10-9-2-1-7(6-12)5-8(9)3-4-13-10/h1-5H |
| InChI Key | PEGDRHQYGZULLT-UHFFFAOYSA-N |
| MDL Number | MFCD18250894 |
| Molecular Formula | C10H5ClN2 |
| Molecular Weight | 188.6131 |
| SMILES | ClC1=NC=CC2=C1C=CC(=C2)C#N |
| Synonyms | 1-Chloroisoquinoline-6-carbonitrile,
1260664-41-2,
CTK8C0485,
DTXSID60743426,
ZX-AT001721,
4951AA,
ANW-64748,
MFCD18250894,
ZINC82766578,
AB73872,
FCH1152160,
OR300059,
PS-11565,
AJ-125582,
AX8235027,
TC-153493,
C-0432,
C10H5ClN2,
1-Chloro-isoquinoline-6-carbonitrile,
1-chloroisoquinoline-6-carbonitrile, 95% - 1G 1g,
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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