UCSF

ZINC02380592

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 Yes

Popular Name: 4-(4-chlorophenyl)-4-oxobutanenitrile 4-(4-chlorophenyl)-4-oxobutaneni…

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CAS Number: 40394-87-4

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) 1.87 6.77 -8.77 0 2 0 41 193.633 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 67 - 69 KeyOrganics
MP 72 - 74 Enamine Building Blocks
MP 72...74 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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