UCSF

ZINC08730224

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 15 No

Popular Name: methyl 3-(methylamino)-4-nitrobenzoate methyl 3-(methylamino)-4-nitrobe…

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CAS Numbers: 251643-13-7 , [251643-13-7]

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) 1.85 4.87 -6.9 1 6 0 84 210.189 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 135 - 136 KeyOrganics
MP 135-136° Matrix Scientific
MP 137 - 139 Enamine Building Blocks
MP 137...139 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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