UCSF

ZINC02382279

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 Yes

Popular Name: 4-Methyl-3-(trifluoromethyl)aniline 4-Methyl-3-(trifluoromethyl)aniline

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CAS Numbers: 65934-74-9 , [65934-74-9]

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) 2.29 1.44 -3.6 2 1 0 26 175.153 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 204? Alfa-Aesar
Boiling_Point 204° Alfa-Aesar
BP 85-86°/8mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings Irritant-Harmful Matrix Scientific
Warnings TOXIC Matrix Scientific

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