UCSF

ZINC01066810

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 14 Yes

Popular Name: 6-chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine 6-chloro-3-(trifluoromethyl)[1,2…

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CAS Number: 40971-95-7

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) 2.06 4.58 -9.49 0 4 0 43 222.557 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 69 - 71 Enamine Building Blocks
MP 69...71 Enamine Building Blocks
MP 73 - 75 Enamine Building Blocks
melting_point 79 - 80 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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