| CAS Number | 1881331-89-0 |
| Catalog Number | AG00I2OD(AGN-PC-0WR8O2) |
| Chemical Name | 1-(4-fluoro-3-hydroxyphenyl)cyclohexane-1-carbonitrile |
| IUPAC Name | 1-(4-fluoro-3-hydroxyphenyl)cyclohexane-1-carbonitrile |
| InChI | InChI=1S/C13H14FNO/c14-11-5-4-10(8-12(11)16)13(9-15)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7H2 |
| InChI Key | NMYAAAXJUXRHFS-UHFFFAOYSA-N |
| MDL Number | MFCD29044644 |
| Molecular Formula | C13H14FNO |
| Molecular Weight | 219.2548 |
| SMILES | N#CC1(CCCCC1)c1ccc(c(c1)O)F |
| Synonyms | 1-(4-FLUORO-3-HYDROXYPHENYL)CYCLOHEXANE-1-CARBONITRILE,
1881331-89-0,
ZINC260107472,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.259g/mol |
| Monoisotopic Mass | 219.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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