UCSF

ZINC02562553

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 2-Amino-5-acetamidobenzotrifluoride 2-Amino-5-acetamidobenzotrifluoride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1579-89-1 , [1579-89-1]

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) 1.46 2.41 -8.06 3 3 0 55 218.178 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 118 - 120 Enamine Building Blocks
MP 118...120 Enamine Building Blocks
MP 119 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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