UCSF

ZINC01555413

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 No

Popular Name: 4-Bromo-3-nitrotoluene 4-Bromo-3-nitrotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5326-34-1 , 5344-78-5 , [5326-34-1]

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) 3.08 1.31 -7.57 0 3 0 45 216.034 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 151-152.5°/14mm Oakwood Chemical
BP 152 / 14 TCI
Melting_Point 29-32? Alfa-Aesar
Melting_Point 29-32° Alfa-Aesar
MP 30-32° Matrix Scientific
MP 31-33° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Boiling_Point 96?/1mm Alfa-Aesar
Boiling_Point 96°/1mm Alfa-Aesar
Purity 99% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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