UCSF

ZINC01586822

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 3-Nitrophenylacetonitrile 3-Nitrophenylacetonitrile

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CAS Numbers: 621-50-1 , 626-40-4 , [621-50-1]

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) 1.84 6.33 -14.12 0 4 0 70 162.148 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 63° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific

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