| CAS Number | 936498-04-3 |
| Catalog Number | AG019NHV(AGN-PC-0WNNRG) |
| Chemical Name | 4,6-dichloroquinoline-3-carbonitrile |
| IUPAC Name | 4,6-dichloroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H4Cl2N2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-3,5H |
| InChI Key | JTWDDTWMLBDQNM-UHFFFAOYSA-N |
| MDL Number | MFCD09261391 |
| Molecular Formula | C10H4Cl2N2 |
| Molecular Weight | 223.0582 |
| SMILES | ClC1=CC2=C(N=CC(=C2Cl)C#N)C=C1 |
| Synonyms | 4,6-dichloroquinoline-3-carbonitrile,
936498-04-3,
4,6-DICHLORO-QUINOLINE-3-CARBONITRILE,
4,6-Dichloro-3-quinolinecarbonitrile,
EN300-40469,
AC1Q3KJD,
SCHEMBL19877265,
CTK7C9065,
MFCD09261391,
ZINC16697819,
AKOS000184599,
BBV-076846,
FCH5613724,
MCULE-1281491778,
AS-37658,
DB-079640,
FT-0761358,
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| 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 | 3.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number