| CAS Number | 1355247-40-3 |
| Catalog Number | AG006YUP(AGN-PC-0WA9UJ) |
| Chemical Name | 4-[3-(Benzyloxy)phenyl]-2-chlorobenzonitrile |
| IUPAC Name | 2-chloro-4-(3-phenylmethoxyphenyl)benzonitrile |
| InChI | InChI=1S/C20H14ClNO/c21-20-12-17(9-10-18(20)13-22)16-7-4-8-19(11-16)23-14-15-5-2-1-3-6-15/h1-12H,14H2 |
| InChI Key | OMSIWQJLJUKVBO-UHFFFAOYSA-N |
| MDL Number | MFCD21333009 |
| Molecular Formula | C20H14ClNO |
| Molecular Weight | 319.7843 |
| SMILES | N#Cc1ccc(cc1Cl)c1cccc(c1)OCc1ccccc1 |
| Synonyms | 4-[3-(Benzyloxy)phenyl]-2-chlorobenzonitrile,
1355247-40-3,
ACMC-209c1w,
CTK8B0386,
DTXSID70742763,
ANW-19890,
MFCD21333009,
ZINC85476881,
AKOS026672860,
TC-108635,
K-4303,
3'-(Benzyloxy)-3-chloro[1,1'-biphenyl]-4-carbonitrile,
2-chloro-4-(3-phenylmethoxyphenyl)benzonitrile,
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| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.788g/mol |
| Monoisotopic Mass | 319.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number