UCSF

ZINC02578528

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 2-Bromo-5-ethoxy-4-hydroxy-benzonitrile 2-Bromo-5-ethoxy-4-hydroxy-benzo…

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CAS Number: 832674-70-1

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) 2.14 0.18 -6.12 1 3 0 53 242.072 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 127-129? Alfa-Aesar
Melting_Point 127-129° Alfa-Aesar

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