UCSF

ZINC00090538

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

Popular Name: 4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride 4-(4-Methoxyphenoxy)-3-nitrobenz…

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CAS Numbers: 1996-69-6 , [1996-69-6]

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) 4.53 4.83 -9.29 0 5 0 64 313.231 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 45-47° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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