| CAS Number | 473732-52-4 |
| Catalog Number | AG00DRTO(AGN-PC-05CNPV) |
| Chemical Name | 2-(Cyclohexylmethoxy)-4-fluoroaniline |
| IUPAC Name | 2-(cyclohexylmethoxy)-4-fluoroaniline |
| InChI | InChI=1S/C13H18FNO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,15H2 |
| InChI Key | OFNOJXWJIPYBTK-UHFFFAOYSA-N |
| MDL Number | MFCD11127469 |
| Molecular Formula | C13H18FNO |
| Molecular Weight | 223.2865 |
| SMILES | NC1=C(OCC2CCCCC2)C=C(F)C=C1 |
| Synonyms | 2-(cyclohexylmethoxy)-4-fluoroaniline,
SCHEMBL12261484,
AKOS000198610,
473732-52-4,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.291g/mol |
| Monoisotopic Mass | 223.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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