UCSF

ZINC02527769

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 3-Chloro-5-(trifluoromethyl)benzoic acid 3-Chloro-5-(trifluoromethyl)benz…

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CAS Numbers: 53985-49-2 , [53985-49-2]

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) 3.35 6.56 -39.83 0 2 -1 40 223.557 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 100-102° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
MP 98 - 101 Enamine Building Blocks
Melting_Point 98-101? Alfa-Aesar
Melting_Point 98-101° Alfa-Aesar
MP 98...101 Enamine Building Blocks

Activity (Go SEA)

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