UCSF

ZINC39236578

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 10 Yes

Popular Name: 3-Bromo-5-methylbenzene-1,2-diamine 3-Bromo-5-methylbenzene-1,2-diamine

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CAS Numbers: 70733-25-4 , [70733-25-4]

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) 2.02 1.88 -3.34 4 2 0 52 201.067 0 ↓

Vendor Notes

Note Type Comments Provided By
M.P 60 C Indofine

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