UCSF

ZINC01437421

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 13 Yes

Popular Name: ethyl 4-amino-3-chlorobenzoate ethyl 4-amino-3-chlorobenzoate

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CAS Numbers: 64401-55-4 , 82765-44-4

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) 2.57 0.24 -6.75 2 3 0 52 199.637 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 83-84° Oakwood Chemical
Purity 97% Fluorochem

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

No pre-computed analogs available. Try a structural similarity search.