| CAS Number | 1365271-33-5 |
| Catalog Number | AG0011Y2(AGN-PC-0J2C6E) |
| Chemical Name | 4-(2-Chloro-5-methoxyphenyl)benzonitrile |
| IUPAC Name | 4-(2-chloro-5-methoxyphenyl)benzonitrile |
| InChI | InChI=1S/C14H10ClNO/c1-17-12-6-7-14(15)13(8-12)11-4-2-10(9-16)3-5-11/h2-8H,1H3 |
| InChI Key | ZNRWZCUWCOHBBW-UHFFFAOYSA-N |
| MDL Number | MFCD21609629 |
| Molecular Formula | C14H10ClNO |
| Molecular Weight | 243.6883 |
| SMILES | COc1ccc(c(c1)c1ccc(cc1)C#N)Cl |
| Synonyms | 4-(2-Chloro-5-methoxyphenyl)benzonitrile,
1365271-33-5,
ACMC-209c65,
CTK8B0476,
DTXSID60742833,
ANW-20043,
MFCD21609629,
ZINC85476982,
AKOS026672914,
CJ-22394,
TC-108788,
B-9544,
2'-Chloro-5'-methoxy[1,1'-biphenyl]-4-carbonitrile,
[1,1'-Biphenyl]-4-carbonitrile, 2'-chloro-5'-methoxy-,
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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 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number