UCSF

ZINC02540647

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: 3-Fluoro-4-nitrobenzonitrile 3-Fluoro-4-nitrobenzonitrile

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CAS Number: 218632-01-0

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) 1.74 5.58 -9.43 0 4 0 70 166.111 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 72-73° Matrix Scientific
MP 73 - 75 Enamine Building Blocks
MP 73...75 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.