UCSF

ZINC12336628

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 17 Yes

Popular Name: methyl 4-(trifluoromethyl)-1-benzothiophene-2-carboxylate methyl 4-(trifluoromethyl)-1-ben…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 146137-87-3 , [146137-87-3]

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) 3.82 3.4 -8.69 0 2 0 26 260.236 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 81 - 83 KeyOrganics
MP 81-83° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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