UCSF

ZINC02560316

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: 1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene 1,2-Dichloro-4-nitro-5-(trifluor…

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CAS Numbers: 50594-31-5 , [50594-31-5]

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) 4.00 3.3 -4.29 0 3 0 45 259.998 2 ↓
Hi High (pH 8-9.5) 0.92 2.15 -74.96 7 11 1 167 491.454 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 36-38? Alfa-Aesar
MP 36-38° Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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