| CAS Number | 908238-55-1 |
| Catalog Number | AG01EH9Q(AGN-PC-3H45F0) |
| Chemical Name | 2-(2-Methylphenoxy)benzonitrile |
| IUPAC Name | 2-(2-methylphenoxy)benzonitrile |
| InChI | InChI=1S/C14H11NO/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h2-9H,1H3 |
| InChI Key | LBHXACVLOXBRKR-UHFFFAOYSA-N |
| MDL Number | MFCD11155955 |
| Molecular Formula | C14H11NO |
| Molecular Weight | 209.2432 |
| SMILES | N#Cc1ccccc1Oc1ccccc1C |
| Synonyms | 2-(2-methylphenoxy)benzonitrile,
908238-55-1,
2-(o-Tolyloxy)benzonitrile,
AKOS000262267,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.248g/mol |
| Monoisotopic Mass | 209.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number