UCSF

ZINC00164779

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: 3-(Trifluoromethoxy)benzoic acid 3-(Trifluoromethoxy)benzoic acid

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CAS Numbers: 1014-81-9 , [1014-81-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.79 2.31 -45.06 0 3 -1 49 205.111 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 88-89? Alfa-Aesar
Melting_Point 88-89° Alfa-Aesar
MP 89 - 92 Enamine Building Blocks
MP 89...92 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
mp 90 - 91 MolMall (formerly Molecular Diversity Preservation International)
MP 92 TCI
purity 95 Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 99% APIChem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.