UCSF

ZINC02584112

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 3-Chloro-4-(difluoromethoxy)aniline hydrochloride 3-Chloro-4-(difluoromethoxy)anil…

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CAS Numbers: 115700-24-8 , 39211-55-7 , [115700-24-8] , [39211-55-7]

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) 2.23 0.05 -5.75 2 2 0 35 193.58 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 27 - 29 Enamine Building Blocks
MP 27...29 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% )

No pre-computed analogs available. Try a structural similarity search.