UCSF

ZINC04578619

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 17 No

Popular Name: 4-Nitro-3-(trifluoromethyl)acetanilide 4-Nitro-3-(trifluoromethyl)aceta…

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CAS Numbers: 393-12-4 , [393-12-4]

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) 1.94 4.79 -12.15 1 5 0 75 248.16 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 108-109° Matrix Scientific
MP 123 TCI
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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