| CAS Number | 1355247-45-8 |
| Catalog Number | AG007ZJK(AGN-PC-0J2C4J) |
| Chemical Name | 2-Chloro-4-(2-chloro-5-methylphenyl)benzonitrile |
| IUPAC Name | 2-chloro-4-(2-chloro-5-methylphenyl)benzonitrile |
| InChI | InChI=1S/C14H9Cl2N/c1-9-2-5-13(15)12(6-9)10-3-4-11(8-17)14(16)7-10/h2-7H,1H3 |
| InChI Key | UTTJFFKVJIFHDH-UHFFFAOYSA-N |
| MDL Number | MFCD21333010 |
| Molecular Formula | C14H9Cl2N |
| Molecular Weight | 262.1340 |
| SMILES | N#Cc1ccc(cc1Cl)c1cc(C)ccc1Cl |
| Synonyms | 2-Chloro-4-(2-chloro-5-methylphenyl)benzonitrile,
1355247-45-8,
ACMC-209c20,
CTK8B0389,
DTXSID10742767,
ANW-19894,
MFCD21333010,
ZINC85476887,
CJ-22378,
TC-108639,
B-8566,
2',3-Dichloro-5'-methyl[1,1'-biphenyl]-4-carbonitrile,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.133g/mol |
| Monoisotopic Mass | 261.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number