UCSF

ZINC03886534

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 12 Yes

Popular Name: 4-Bromo-phenylthioacetic acid 4-Bromo-phenylthioacetic acid

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CAS Numbers: 3406-76-6 , N/A , [3406-76-6]

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) 2.43 -0.5 -42.18 0 2 -1 40 246.105 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 115-117° Oakwood Chemical
MP 117 - 119 Enamine Building Blocks
MP 117...119 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem

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