UCSF

ZINC00403961

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 Yes

Popular Name: 5-Chloro-2-fluorobenzoic acid 5-Chloro-2-fluorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1382106-78-6 , 394-30-9 , 99277-71-1 , [394-30-9]

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) 2.28 1.28 -49.61 0 2 -1 40 173.55 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 146 - 148 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 148-150? Alfa-Aesar
Melting_Point 148-150° Alfa-Aesar
MP 151 TCI
Mp [°C] 151 - 153 Acros Organics
MP 152-153° Oakwood Chemical
MP 168° Matrix Scientific
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

Activity (Go SEA)

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

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