UCSF

ZINC00040889

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 4-bromo-2-[(3,5-dichloroanilino)methyl]benzenol 4-bromo-2-[(3,5-dichloroanilino)…

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CAS Numbers: 298215-62-0 , [298215-62-0]

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) 5.20 -3.21 -3.92 2 2 0 32 347.039 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 125 - 127 KeyOrganics

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