| CAS Number | 270260-65-6 |
| Catalog Number | AG01A8KQ |
| Chemical Name | 4-(Cyclohexyloxy)benzonitrile |
| IUPAC Name | 4-cyclohexyloxybenzonitrile |
| InChI | InChI=1S/C13H15NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h6-9,12H,1-5H2 |
| InChI Key | XTMHFCUGHJGBMY-UHFFFAOYSA-N |
| MDL Number | MFCD11135581 |
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.2643 |
| SMILES | N#CC1=CC=C(OC2CCCCC2)C=C1 |
| Synonyms | 4-(cyclohexyloxy)benzonitrile,
270260-65-6,
EN300-61856,
AC1Q4R3P,
SCHEMBL7061476,
ZINC19867825,
AKOS000222378,
MCULE-9271729130,
NE34948,
Z992422520,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.269g/mol |
| Monoisotopic Mass | 201.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number