UCSF

ZINC03861685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 3-Amino-4-chlorobenzoic acid 3-Amino-4-chlorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2840-28-0 , [2840-28-0]

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) 1.94 2.58 -46.32 2 3 -1 66 170.575 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 213-215 Fluorochem
Melting_Point 213-218? Alfa-Aesar
Melting_Point 213-218° Alfa-Aesar
MP 214 - 215 Enamine Building Blocks
Mp [°C] 214 - 218 Acros Organics
M.P 214-215 °C Indofine
MP 214...215 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
Warnings IRRITANT Matrix Scientific
Hazard N: Dangerous for the environment Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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.