UCSF

ZINC02510756

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Popular Name: 3-Bromo-4-fluoroaniline 3-Bromo-4-fluoroaniline

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CAS Numbers: 1257535-28-6 , 656-64-4 , N/A , [1257535-28-6] , [656-64-4]

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) 1.91 3.03 -4.31 2 1 0 26 190.015 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 124 / 11 TCI
BP 124°/11mm Oakwood Chemical
Boiling_Point 235? Alfa-Aesar
BP 235° Matrix Scientific
Melting_Point 34-36? Alfa-Aesar
Melting_Point 34-36° Alfa-Aesar
MP 34-37° Oakwood Chemical
MP 34° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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