UCSF

ZINC01081254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 11 No

Popular Name: 2-Bromo-4-nitrotoluene 2-Bromo-4-nitrotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 7745-93-9 , [7745-93-9]

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 -5.86 0 3 0 45 216.034 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 175 / 38 TCI
Melting_Point 74-78? Alfa-Aesar
Melting_Point 74-78° Alfa-Aesar
MP 75 - 77 Enamine Building Blocks
MP 75...77 Enamine Building Blocks
MP 76-77° Matrix Scientific
MP 77 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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