UCSF

ZINC04203226

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 Yes

Popular Name: 4-Amino-3-chlorobenzoic acid 4-Amino-3-chlorobenzoic acid

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CAS Numbers: 2486-71-7 , [2486-71-7]

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) 1.94 2.57 -49.63 2 3 -1 66 170.575 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 224-229? Alfa-Aesar
Melting_Point 224-229° Alfa-Aesar
MP 228 TCI
MP 228-230° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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