UCSF

ZINC01706168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 3-Fluorobenzotrifluoride 3-Fluorobenzotrifluoride

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CAS Numbers: 401-80-9 , [401-80-9]

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) 2.97 5.55 -3.2 0 0 0 0 164.101 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 101 TCI
Boiling_Point 101-102? Alfa-Aesar
BP 101-102° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 99% Matrix Scientific
Warnings Flammable Matrix Scientific
Warnings IRRITANT, FLAMMABLE Matrix Scientific

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

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