In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2008 | 11 | Yes |
Popular Name: 2-Fluoro-4-(hydroxymethyl)benzonitrile 2-Fluoro-4-(hydroxymethyl)benzon…
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CAS Numbers: 222978-02-1 , [222978-02-1]
2-fluoro-4-(hydroxymethyl)benzenecarbonitrile
4-Cyano-3-fluorobenzyl alcohol
Benzonitrile, 2-fluoro-4-(hydroxymethyl)- (9CI)
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.12 | 2.25 | -8.26 | 1 | 2 | 0 | 44 | 151.14 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 66 - 68 | KeyOrganics |
MP | 66-68° | Matrix Scientific |
Purity | 95% | Fluorochem |
Purity | >90% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |