| CAS Number | 89346-58-7 |
| Catalog Number | AG003Y4I(AGN-PC-0K4NFK) |
| Chemical Name | 2-(4-Chlorophenyl)benzonitrile |
| IUPAC Name | 2-(4-chlorophenyl)benzonitrile |
| InChI | InChI=1S/C13H8ClN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H |
| InChI Key | ZNYVLXVPKPEZLG-UHFFFAOYSA-N |
| MDL Number | MFCD05981747 |
| Molecular Formula | C13H8ClN |
| Molecular Weight | 213.6623 |
| SMILES | N#Cc1ccccc1c1ccc(cc1)Cl |
| Synonyms | 2-(4-chlorophenyl)benzonitrile,
89346-58-7,
AC1LRDLO,
ACMC-209qzm,
SCHEMBL1541402,
CTK8B2598,
DTXSID30362724,
ZINC1259521,
ANW-39248,
MFCD05981747,
AKOS002683402,
CJ-04837,
TC-127993,
B-8490,
CID1393972,
4'-chloro-1,1'-biphenyl-2-carbonitrile,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.664g/mol |
| Monoisotopic Mass | 213.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number