| CAS Number | 1338095-85-4 |
| Catalog Number | AG007MV9(AGN-PC-0K4NEM) |
| Chemical Name | 2-(3-Chlorophenyl)benzonitrile |
| IUPAC Name | 2-(3-chlorophenyl)benzonitrile |
| InChI | InChI=1S/C13H8ClN/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-8H |
| InChI Key | PQYNQKBYEZCGOX-UHFFFAOYSA-N |
| MDL Number | MFCD05979947 |
| Molecular Formula | C13H8ClN |
| Molecular Weight | 213.6623 |
| SMILES | N#CC1=CC=CC=C1C2=CC=CC(Cl)=C2 |
| Synonyms | 2-(3-Chlorophenyl)benzonitrile,
1338095-85-4,
ACMC-209bti,
CTK8B0209,
DTXSID20362713,
ZINC1259331,
ANW-19588,
MFCD05979947,
AKOS026672733,
CJ-04834,
TC-108333,
B-8489,
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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 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number