UCSF

ZINC01719547

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 4-Amino-3,5-difluorobenzonitrile 4-Amino-3,5-difluorobenzonitrile

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CAS Numbers: 110301-23-0 , [110301-23-0]

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) 1.36 2.95 -4.51 2 2 0 50 154.119 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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