| CAS Number | 890147-29-2 |
| Catalog Number | AG019XWG(AGN-PC-0VOD44) |
| Chemical Name | 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile |
| IUPAC Name | 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile |
| InChI | InChI=1S/C10H10FNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5,7H2 |
| InChI Key | KWFISRFRHISQEV-UHFFFAOYSA-N |
| MDL Number | MFCD13368230 |
| Molecular Formula | C10H10FNO |
| Molecular Weight | 179.1909 |
| SMILES | OCC(C#N)CC1=CC=C(F)C=C1 |
| Synonyms | 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile,
890147-29-2,
AC1Q7BKB,
SCHEMBL5501854,
CTK8A1602,
AKOS010967506,
MCULE-4947882210,
NE22966,
EN300-56228,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.194g/mol |
| Monoisotopic Mass | 179.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number