UCSF

ZINC00157093

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 No

Popular Name: 2-Methyl-6-nitrobenzoic acid 2-Methyl-6-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13506-76-8 , [13506-76-8]

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) 1.82 6.73 -62.41 0 5 -1 86 180.139 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 153 - 157 Enamine Building Blocks
Melting_Point 153-156? Alfa-Aesar
Melting_Point 153-156° Alfa-Aesar
MP 153...157 Enamine Building Blocks
MP 154 - 156 Enamine Building Blocks
MP 156 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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