UCSF

ZINC00167759

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: methyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate methyl 3-(2-chlorophenyl)-5-meth…

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CAS Numbers: , 4357-94-2 , [4357-94-2]

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) 2.71 3.53 -9.34 0 4 0 52 251.669 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 56-58° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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