UCSF

ZINC00163618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: Methyl 3-methyl-2-nitrobenzoate Methyl 3-methyl-2-nitrobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5471-82-9 , [5471-82-9]

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) 2.60 3.51 -15.65 0 5 0 72 195.174 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 72 - 73 KeyOrganics
MP 72-73° Matrix Scientific
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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