UCSF

ZINC12957189

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 9 Yes

Popular Name: 2-Bromo-3-methylaniline 2-Bromo-3-methylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54879-20-8 , [54879-20-8]

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) 2.58 3.64 -2.76 2 1 0 26 186.052 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 48?/0.03mm Alfa-Aesar
BP 48°/0.03mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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