UCSF

ZINC00137837

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetonitrile 2-[4-(4-chlorophenyl)-1,3-thiazo…

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CAS Numbers: 17969-48-1 , 7072-94-8 , [17969-48-1]

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) 2.92 1.28 -10.77 0 2 0 37 234.711 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 124 - 126 KeyOrganics
MP 124-126° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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