UCSF

ZINC00156123

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 Yes

Popular Name: 3-fluoro-5-(trifluoromethyl)benzoic acid 3-fluoro-5-(trifluoromethyl)benz…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 161622-05-5 , [161622-05-5]

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) 2.84 6.12 -39.55 0 2 -1 40 207.102 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 103-105? Alfa-Aesar
Melting_Point 103-105° Alfa-Aesar
MP 104-108° Matrix Scientific
Mp [°C] 105 - 106 Acros Organics
MP 106 - 108 Enamine Building Blocks
MP 106...108 Enamine Building Blocks
MP 107 - 108 Enamine Building Blocks
MP 108 - 108 Enamine Building Blocks
MP 108 - 110 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics

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