UCSF

ZINC02569405

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 No

Popular Name: methyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]benzenecarboxylate methyl 2-[(3-chloro-2,2-dimethyl…

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CAS Numbers: 339100-86-6 , N/A

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) 3.18 2.28 -6.3 1 4 0 55 269.728 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 53 - 55 KeyOrganics
MP 53-55° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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