UCSF

ZINC00334879

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Substance Information

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

Popular Name: 3-(2-Chlorophenyl)propionic acid 3-(2-Chlorophenyl)propionic acid

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CAS Numbers: , 1643-28-3 , [1643-28-3]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.51 0.98 -47.65 0 2 -1 40 183.614 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 171?/10mm Alfa-Aesar
Boiling_Point 171°/10mm Alfa-Aesar
MP 94-96° Matrix Scientific
Melting_Point 94-97? Alfa-Aesar
Melting_Point 94-97° Alfa-Aesar
MP 96-98° Oakwood Chemical
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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