UCSF

ZINC02243106

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 14 Yes

Popular Name: 4-Chloro-2-(trifluoromethyl)benzoic acid 4-Chloro-2-(trifluoromethyl)benz…

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CAS Numbers: 142994-09-0 , [142994-09-0]

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) 3.01 2.48 -44.27 0 2 -1 40 223.557 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 106 - 108 Enamine Building Blocks
MP 106...108 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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