| CAS Number | 944648-35-5 |
| Catalog Number | AG00II6S(AGN-PC-0WA9SI) |
| Chemical Name | 4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile |
| IUPAC Name | 4-[(3-fluorophenyl)-hydroxymethyl]benzonitrile |
| InChI | InChI=1S/C14H10FNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8,14,17H |
| InChI Key | OBZFKUCGZVOHJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11096850 |
| Molecular Formula | C14H10FNO |
| Molecular Weight | 227.2337 |
| SMILES | N#Cc1ccc(cc1)C(c1cccc(c1)F)O |
| Synonyms | 4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile,
944648-35-5,
4-((3-Fluorophenyl)(hydroxy)methyl)benzonitrile,
ACMC-209rs6,
CTK8B2740,
DTXSID10678850,
ANW-40276,
MFCD11096850,
AKOS003583986,
AKOS019066860,
TC-129021,
V9438,
C14H10FNO,
B-8934,
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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 | 227.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.238g/mol |
| Monoisotopic Mass | 227.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number