UCSF

ZINC00056453

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 13 No

Popular Name: 3,4-Dichlorocinnamic acid 3,4-Dichlorocinnamic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1202-39-7 , 7312-27-8 , [1202-39-7]

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) 3.19 0.82 -45.08 0 2 -1 40 216.043 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 218 - 220 Enamine Building Blocks
M.P 218-220 °C Indofine
Melting_Point 218-220? Alfa-Aesar
Melting_Point 218-220° Alfa-Aesar
MP 218...220 Enamine Building Blocks
Mp [°C] 220 - 223 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
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/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minute Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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