UCSF

ZINC01726769

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 No

Popular Name: 3'-Nitropropiophenone 3'-Nitropropiophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17408-16-1 , [17408-16-1]

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) 2.27 2.23 -13.93 0 4 0 63 179.175 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 98 - 101 Enamine Building Blocks
Purity 98% Fluorochem
MP 98...101 Enamine Building Blocks
Purity 99% APIChem
Melting_Point 99-102? Alfa-Aesar
Melting_Point 99-102° Alfa-Aesar

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )