UCSF

ZINC00050085

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 3-Oxo-N-(2-trifluoromethyl-phenyl)-butyramide 3-Oxo-N-(2-trifluoromethyl-pheny…

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CAS Number: 81761-28-6

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) 1.78 6.77 -13.35 1 3 0 46 245.2 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 56 - 58 KeyOrganics
MP 60 - 62 Enamine Building Blocks
MP 60...62 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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