UCSF

ZINC16123532

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 13 Yes

Popular Name: 1-Amino-2-(isopropylsulphonyl)benzene 1-Amino-2-(isopropylsulphonyl)be…

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CAS Numbers: 1022968-46-2 , 76697-50-2 , [1022968-46-2] , [76697-50-2]

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) 1.42 1.83 -10.07 2 3 0 60 199.275 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 84.5° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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