UCSF

ZINC04290341

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-Bromo-2-fluorobenzonitrile 3-Bromo-2-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 840481-82-5 , [840481-82-5]

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) 2.57 2.5 -7.62 0 1 0 24 200.01 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 37-40° Matrix Scientific
Purity 96% Fluorochem
Purity 97% Matrix Scientific
Purity 98% Matrix Scientific
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.