UCSF

ZINC02510104

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: 4-Bromo-3-nitroanisole 4-Bromo-3-nitroanisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10079-53-5 , 5344-78-5 , [5344-78-5]

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) 2.69 1.01 -7.85 0 4 0 55 232.033 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 153-154?/13mm Alfa-Aesar
Boiling_Point 153-154°/13mm Alfa-Aesar
BP 153-154°/23 Torr Matrix Scientific
BP 154 / 13 TCI
Melting_Point 29-32? Alfa-Aesar
Melting_Point 29-32° Alfa-Aesar
MP 31 - 33 Enamine Building Blocks
MP 31...33 Enamine Building Blocks
MP 32 TCI
MP 32 - 34 Enamine Building Blocks
MP 32° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% 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.