| CAS Number | 1355247-47-0 |
| Catalog Number | AG009WLR |
| Chemical Name | 2-Chloro-4-(3-chlorophenyl)benzonitrile |
| IUPAC Name | 2-chloro-4-(3-chlorophenyl)benzonitrile |
| InChI | InChI=1S/C13H7Cl2N/c14-12-3-1-2-9(6-12)10-4-5-11(8-16)13(15)7-10/h1-7H |
| InChI Key | UMRMTRVYHJFULT-UHFFFAOYSA-N |
| MDL Number | MFCD21333014 |
| Molecular Formula | C13H7Cl2N |
| Molecular Weight | 248.1074 |
| SMILES | N#Cc1ccc(cc1Cl)c1cccc(c1)Cl |
| Synonyms | 2-Chloro-4-(3-chlorophenyl)benzonitrile,
1355247-47-0,
ACMC-209c22,
CTK8B0391,
DTXSID30742769,
ANW-19896,
MFCD21333014,
ZINC85476891,
CJ-22380,
TC-108641,
3,3'-Dichloro[1,1'-biphenyl]-4-carbonitrile,
B-8569,
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| Complexity | 283 |
| 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 |
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Certificate of Analysis
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