UCSF

ZINC04334573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 14 No

Popular Name: 3-Amino-4-nitrobenzotrifluoride 3-Amino-4-nitrobenzotrifluoride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 402-14-2 , [402-14-2]

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) 2.20 2.05 -5.01 2 4 0 72 206.123 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Melting_Point 98-102? Alfa-Aesar
Melting_Point 98-102° Alfa-Aesar

Activity (Go SEA)

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