UCSF

ZINC01847412

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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CAS Numbers: 445-13-6 , [445-13-6]

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) 2.52 1.09 -4.64 2 1 0 26 195.571 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 112-115° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
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.