UCSF

ZINC00092404

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 4-(2-Chloro-6-fluorobenzyloxy)phenylacetonitrile 4-(2-Chloro-6-fluorobenzyloxy)ph…

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CAS Numbers: 175135-35-0 , [175135-35-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 4.30 3.49 -11.57 0 2 0 33 275.71 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 78-79° Matrix Scientific
Purity 95% Fluorochem
Warnings TOXIC Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )