UCSF

ZINC01507125

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 17 No

Popular Name: 1-Chloro-2-nitro-4-trifluoromethanesulfonyl-benzene 1-Chloro-2-nitro-4-trifluorometh…

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CAS Numbers: 155-27-2 , 1550-27-2 , 30186-41-5 , [1550-27-2]

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) 4.92 -0.47 -9.77 0 5 0 79 289.618 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 57 - 59 Enamine Building Blocks
MP 57...59 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem

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

No pre-computed analogs available. Try a structural similarity search.