UCSF

ZINC01732193

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 Yes

Popular Name: 4-(4-chlorophenoxy)butanoic acid 4-(4-chlorophenoxy)butanoic acid

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CAS Numbers: 3547-07-7 , [3547-07-7]

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) 2.46 0.6 -45.39 0 3 -1 49 213.64 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 114 - 116 Enamine Building Blocks
MP 114...116 Enamine Building Blocks
MP 118 - 120 Enamine Building Blocks
MP 118-120° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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