UCSF

ZINC01757885

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Methyl-4-nitrobenzoic acid 2-Methyl-4-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1975-51-5 , [1975-51-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.85 5.31 -39.43 0 5 -1 86 180.139 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 150-154° Oakwood Chemical
MP 150-155 Matrix Scientific
Melting_Point 152-155? Alfa-Aesar
Melting_Point 152-155° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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