In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 20 | Yes |
Popular Name: 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}benzenecarbonitrile 4-{[3-chloro-5-(trifluoromethyl)…
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CAS Numbers: 95711-33-4 , [95711-33-4]
4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
4-(3-Chloro-5-(trifluoromethyl)-2-pyridyloxy)benzenecarbonitrile, 95%
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-oxy}benzenecarbonitrile
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}benzonitrile
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) | 4.05 | 3.53 | -5.96 | 0 | 3 | 0 | 45 | 298.651 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 7.200000000000000e+001 - 7.400000000000000e+001 | KeyOrganics |
melting_point | 72 - 74 | KeyOrganics |
MP | 72-74° | Matrix Scientific |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |