UCSF

ZINC06678019

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 12 Yes

Popular Name: 3-Chloro-4-isopropoxyaniline 3-Chloro-4-isopropoxyaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 35594-48-0 , 5211-04-1 , [5211-04-1]

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) 2.42 3.77 -4.66 2 2 0 35 185.654 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 131-134°/1.75 Torr Matrix Scientific
MP 211 - 213 Enamine Building Blocks
MP 211...213 Enamine Building Blocks
MP 212 - 214 Enamine Building Blocks
MP 212...214 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% )