| CAS Number | 893734-79-7 |
| Catalog Number | AG003XB5(AGN-PC-0L6WM0) |
| Chemical Name | 3-(3-Chlorophenyl)benzonitrile |
| IUPAC Name | 3-(3-chlorophenyl)benzonitrile |
| InChI | InChI=1S/C13H8ClN/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-8H |
| InChI Key | AWWDWSVSPJJFMG-UHFFFAOYSA-N |
| MDL Number | MFCD05980420 |
| Molecular Formula | C13H8ClN |
| Molecular Weight | 213.6623 |
| SMILES | N#Cc1cccc(c1)c1cccc(c1)Cl |
| Synonyms | 3-(3-chlorophenyl)benzonitrile,
893734-79-7,
ACMC-209r00,
AC1N553J,
SCHEMBL18713547,
CTK8B2606,
DTXSID30400554,
ZINC6863131,
ANW-39262,
MFCD05980420,
AKOS004117365,
CJ-13119,
3'-chloro[1,1'-biphenyl]-3-carbonitrile,
TC-128007,
BB 0223023,
B-8502,
CID4189592,
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| Complexity | 255 |
| 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 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number