UCSF

ZINC04290584

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 10 Yes

Popular Name: 2-Bromo-6-fluorobenzonitrile 2-Bromo-6-fluorobenzonitrile

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CAS Number: 79544-27-7

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) 2.57 2.44 -7.78 0 1 0 24 200.01 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 58 - 62 Enamine Building Blocks
Melting_Point 58-62? Alfa-Aesar
MP 58-62° Matrix Scientific
MP 58...62 Enamine Building Blocks
MP 61 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific

Activity (Go SEA)

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

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