UCSF

ZINC00105292

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 15 Yes

Popular Name: 4-(Trifluoromethoxy)phenylacetic acid 4-(Trifluoromethoxy)phenylacetic…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4315-07-5 , 4315-7-5 , 4315/7/5 , 7/5/4315 12:00:00 AM , [4315-07-5]

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) 2.33 2.56 -43.3 0 3 -1 49 219.138 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 86-87° Matrix Scientific
Melting_Point 86-88? Alfa-Aesar
Melting_Point 86-88° Alfa-Aesar
MP 87 - 89 Enamine Building Blocks
MP 87...89 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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