UCSF

ZINC01673682

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 No

Popular Name: 2-Methyl-3,5-dinitrobenzoic acid 2-Methyl-3,5-dinitrobenzoic acid

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CAS Numbers: 1303525-72-5 , 28169-46-2 , [28169-46-2]

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) 1.73 5.82 -35.29 0 8 -1 132 225.136 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 203-207? Alfa-Aesar
Melting_Point 203-207° Alfa-Aesar
MP 204 - 206 Enamine Building Blocks
MP 204...206 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem

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