UCSF

ZINC35052111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 13 No

Popular Name: 3-Hydroxy-2-nitrobenzoic acid 3-Hydroxy-2-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 602-00-6 , 60547-92-4

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) 1.67 3.66 -55.9 1 6 -1 106 182.111 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 177-181? Alfa-Aesar
Melting_Point 177-181° Alfa-Aesar
MP 177.5-181o C Indofine
MP 179-181°C Indofine
MP 182 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Purity 99% APIChem
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Ethyl acetate Indofine

Activity (Go SEA)

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