UCSF

ZINC00152974

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Substance Information

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

Popular Name: methyl 4-chloro-3-nitrobenzoate methyl 4-chloro-3-nitrobenzoate

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CAS Number: 14719-83-6

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.67 2.68 -9.78 0 5 0 72 215.592 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 78-82? Alfa-Aesar
Melting_Point 78-82° Alfa-Aesar
M.P 80 °C Indofine
MP 82 TCI
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% )