| CAS Number | 1025992-48-6 |
| Catalog Number | AG0007UT(AGN-PC-0MV091) |
| Chemical Name | 4-(3,5-Dichlorophenyl)benzonitrile |
| IUPAC Name | 4-(3,5-dichlorophenyl)benzonitrile |
| InChI | InChI=1S/C13H7Cl2N/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-7H |
| InChI Key | BDRRCKFRNRAPCB-UHFFFAOYSA-N |
| MDL Number | MFCD20529470 |
| Molecular Formula | C13H7Cl2N |
| Molecular Weight | 248.1074 |
| SMILES | N#Cc1ccc(cc1)c1cc(Cl)cc(c1)Cl |
| Synonyms | 4-(3,5-dichlorophenyl)benzonitrile,
1025992-48-6,
ACMC-20982a,
CTK8A9037,
DTXSID20432223,
ANW-14720,
MFCD20529470,
ZINC34002765,
CJ-18146,
TC-103465,
B-8482,
[1,1'-Biphenyl]-4-carbonitrile, 3',5'-dichloro-,
CID9878163,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.106g/mol |
| Monoisotopic Mass | 246.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number