| CAS Number | 1352317-78-2 |
| Catalog Number | AG007LHW(AGN-PC-0BGIBL) |
| Chemical Name | 3-(4-Chloro-2-methoxyphenyl)benzonitrile |
| IUPAC Name | 3-(4-chloro-2-methoxyphenyl)benzonitrile |
| InChI | InChI=1S/C14H10ClNO/c1-17-14-8-12(15)5-6-13(14)11-4-2-3-10(7-11)9-16/h2-8H,1H3 |
| InChI Key | XURVKMUZOQWBPD-UHFFFAOYSA-N |
| MDL Number | MFCD20529479 |
| Molecular Formula | C14H10ClNO |
| Molecular Weight | 243.6883 |
| SMILES | N#Cc1cccc(c1)c1ccc(cc1OC)Cl |
| Synonyms | 3-(4-Chloro-2-methoxyphenyl)benzonitrile,
1352317-78-2,
ACMC-209by9,
CTK8B0279,
DTXSID50718385,
ANW-19759,
MFCD20529479,
ZINC74937820,
AKOS026672773,
CJ-21795,
TC-108504,
4'-Chloro-2'-methoxy[1,1'-biphenyl]-3-carbonitrile,
B-8500,
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| Complexity | 298 |
| 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 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number