| CAS Number | 1352318-70-7 |
| Catalog Number | AG009WL8 |
| Chemical Name | 4-(4-Chloro-2-methoxyphenyl)benzonitrile |
| IUPAC Name | 4-(4-chloro-2-methoxyphenyl)benzonitrile |
| InChI | InChI=1S/C14H10ClNO/c1-17-14-8-12(15)6-7-13(14)11-4-2-10(9-16)3-5-11/h2-8H,1H3 |
| InChI Key | NRUFTPOINAANME-UHFFFAOYSA-N |
| MDL Number | MFCD20529468 |
| Molecular Formula | C14H10ClNO |
| Molecular Weight | 243.6883 |
| SMILES | COc1cc(Cl)ccc1c1ccc(cc1)C#N |
| Synonyms | 4-(4-Chloro-2-methoxyphenyl)benzonitrile,
1352318-70-7,
ACMC-209bzs,
CTK8B0334,
DTXSID60718376,
ANW-19814,
MFCD20529468,
ZINC74937807,
CJ-21783,
TC-108559,
B-8479,
4'-Chloro-2'-methoxy[1,1'-biphenyl]-4-carbonitrile,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.69g/mol |
| Monoisotopic Mass | 243.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^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