UCSF

ZINC01081497

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 Yes

Popular Name: 4-Bromo-2-fluorobenzoic acid 4-Bromo-2-fluorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 112704-79-7 , 2252-50-8

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) 2.41 0.67 -46.66 0 2 -1 40 218.001 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 205 - 207 Enamine Building Blocks
MP 205-208° Matrix Scientific
MP 205...207 Enamine Building Blocks
Melting_Point 210-213? Alfa-Aesar
Melting_Point 210-213° Alfa-Aesar
MP 211-215° Oakwood Chemical
MP 212 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.