UCSF

ZINC00403281

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: (S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol (S)-(+)-1-(2-Chlorophenyl)-1,2-e…

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CAS Numbers: 133082-13-0 , [133082-13-0]

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) 1.12 0.14 -6.48 2 2 0 40 172.611 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 293? Alfa-Aesar
Boiling_Point 293° Alfa-Aesar
Melting_Point 68-75? Alfa-Aesar
Melting_Point 68-75° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% APIChem

Activity (Go SEA)

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