UCSF

ZINC00396083

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-Amino-2-chlorobenzoic acid 3-Amino-2-chlorobenzoic acid

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CAS Numbers: 108679-71-6 , [108679-71-6]

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) 1.58 2.45 -51.45 2 3 -1 66 170.575 1 ↓
Hi High (pH 8-9.5) 2.49 6.88 -96.86 7 7 2 113 436.535 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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