UCSF

ZINC00156077

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 4-Chlorophenylacetic acid 4-Chlorophenylacetic acid

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CAS Numbers: 1878-66-6 , 1878-66-6; 876-27-7 , 876-27-7 , [1878-66-6]

Download: MOL2 SDF SMILES Flexibase

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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) 2.04 0.89 -43.6 0 2 -1 40 169.587 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 102 - 104 Enamine Building Blocks
MP 102...104 Enamine Building Blocks
Mp [°C] 103 - 107 Acros Organics
MP 103-105° Matrix Scientific
Melting_Point 103-107? Alfa-Aesar
Melting_Point 103-107° Alfa-Aesar
MP 105 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Fluorochem
Warnings Irritant Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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