UCSF

ZINC05701094

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 11 No

Popular Name: 3-Fluoro-4-nitroaniline 3-Fluoro-4-nitroaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2369-13-3 , N/A , [2369-13-3]

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) 1.06 3.06 -11.3 2 4 0 72 156.116 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 152-157°(dec) Matrix Scientific
Melting_Point 158-162? Alfa-Aesar
Melting_Point 158-162° Alfa-Aesar
MP 159 - 163 Enamine Building Blocks
MP 159...163 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.