| CAS Number | 158583-91-6 |
| Catalog Number | AG001QAR(AGN-PC-0WBKCR) |
| Chemical Name | 2,7-Dichloroquinoline-3-carbonitrile |
| IUPAC Name | 2,7-dichloroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H4Cl2N2/c11-8-2-1-6-3-7(5-13)10(12)14-9(6)4-8/h1-4H |
| InChI Key | OMAGPCPEZKPTDF-UHFFFAOYSA-N |
| MDL Number | MFCD09787675 |
| Molecular Formula | C10H4Cl2N2 |
| Molecular Weight | 223.0582 |
| SMILES | ClC1=CC=C2C=C(C#N)C(Cl)=NC2=C1 |
| Synonyms | 2,7-Dichloroquinoline-3-carbonitrile,
158583-91-6,
CTK8E3580,
DTXSID80565460,
MFCD09787675,
ZINC11985185,
AKOS015946041,
AB51958,
FCH1327300,
MCULE-4400130879,
NS-02733,
OR309453,
RT-006914,
2,7-DICHLORO-3-QUINOLINECARBONITRILE,
AS-871/43475617,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.056g/mol |
| Monoisotopic Mass | 221.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number