UCSF

ZINC00165667

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 11 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 446-08-2 , 52548-62-6 , 8/2/446 , [446-08-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.60 2.26 -47.49 2 3 -1 66 154.12 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 180 TCI
Mp [°C] 181 - 185 Acros Organics
MP 182 - 184 Enamine Building Blocks
Melting_Point 182-184? Alfa-Aesar
Melting_Point 182-184° Alfa-Aesar
MP 182...184 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Purity 99% Fluorochem
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye 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; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P3 Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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