UCSF

ZINC16158454

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 10 Yes

Popular Name: 2-Fluoro-3-methylbenzonitrile 2-Fluoro-3-methylbenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 185147-06-2 , 185147-07-3 , [185147-07-3]

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) 2.21 5.55 -7.25 0 1 0 24 135.141 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings TOXIC Matrix Scientific

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