UCSF

ZINC01847488

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 12 No

Popular Name: 2,2,3,3,4,4,4-Heptafluorobutanal hydrate 2,2,3,3,4,4,4-Heptafluorobutanal…

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CAS Numbers: 375-02-0 , 375-21-3

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) 2.34 6.03 -5.07 0 1 0 17 198.037 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 95-96° Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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

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