UCSF

ZINC00153489

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 No

Popular Name: 4-NITROSTYRENE 4-NITROSTYRENE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-13-0 , [100-13-0]

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) 2.75 2.51 -6.48 0 3 0 45 149.149 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 120°/10mm Matrix Scientific
Melting_Point 25-28? Alfa-Aesar
Melting_Point 25-28° Alfa-Aesar
MP 29° Oakwood Chemical
Boiling_Point 93-96?/3mm Alfa-Aesar
Boiling_Point 93-96°/3mm Alfa-Aesar
Purity >95% Matrix Scientific
melting_point BP: (10mm Hg)120 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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