UCSF

ZINC01447976

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 13 No

Popular Name: 2-chloro-N-(3,5-dimethylphenyl)acetamide 2-chloro-N-(3,5-dimethylphenyl)a…

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CAS Numbers: 174700-38-0 , [174700-38-0]

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) 2.55 0.44 -10.03 1 2 0 29 197.665 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 125 - 127 KeyOrganics
MP 140 - 142 Enamine Building Blocks
MP 140...142 Enamine Building Blocks
MP 141 - 143 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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