| CAS Number | 1352318-49-0 |
| Catalog Number | AG006ZAI(AGN-PC-0BGIBA) |
| Chemical Name | 4-(3-Chloro-4-methylphenyl)benzonitrile |
| IUPAC Name | 4-(3-chloro-4-methylphenyl)benzonitrile |
| InChI | InChI=1S/C14H10ClN/c1-10-2-5-13(8-14(10)15)12-6-3-11(9-16)4-7-12/h2-8H,1H3 |
| InChI Key | QWNAUDRHDSTNOA-UHFFFAOYSA-N |
| MDL Number | MFCD20529466 |
| Molecular Formula | C14H10ClN |
| Molecular Weight | 227.6889 |
| SMILES | N#Cc1ccc(cc1)c1ccc(c(c1)Cl)C |
| Synonyms | 4-(3-Chloro-4-methylphenyl)benzonitrile,
1352318-49-0,
ACMC-209bzb,
SCHEMBL12508141,
CTK8B0317,
DTXSID40718374,
ANW-19797,
MFCD20529466,
ZINC74937805,
CJ-21781,
TC-108542,
B-8476,
3'-Chloro-4'-methyl[1,1'-biphenyl]-4-carbonitrile,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.691g/mol |
| Monoisotopic Mass | 227.05g/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