UCSF

ZINC01847411

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 12 Yes

Popular Name: 2-Amino-4-chlorobenzotrifluoride 2-Amino-4-chlorobenzotrifluoride

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CAS Numbers: 445-14-7 , [445-14-7]

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) 2.92 1.31 -2.34 2 1 0 26 195.571 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 87°/17mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5650415 IBM Patent Data

Activity (Go SEA)

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

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