UCSF

ZINC02569413

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 No

Popular Name: 3-chloro-N-[4-(cyanomethyl)phenyl]-2,2-dimethylpropanamide 3-chloro-N-[4-(cyanomethyl)pheny…

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CAS Numbers: 454473-74-6 , N/A

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) 2.84 2.3 -11.7 1 3 0 52 250.729 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 116 - 118 KeyOrganics
MP 116-118° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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