UCSF

ZINC08729874

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 16 Yes

Popular Name: 5-Amino-3-[3-(trifluoromethyl)phenyl]isoxazole 5-Amino-3-[3-(trifluoromethyl)ph…

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CAS Numbers: 82360-94-9 , [82360-94-9]

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) 2.57 1.32 -9.12 2 3 0 52 228.173 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 89 - 91 Enamine Building Blocks
MP 89...91 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
melting_point 91 - 93 KeyOrganics
MP 91-93° Matrix Scientific
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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