UCSF

ZINC00404330

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Substance Information

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

Popular Name: 3-Chlorophenylacetic acid 3-Chlorophenylacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1878-65-5 , [1878-65-5]

Download: MOL2 SDF SMILES Flexibase

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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) 2.02 0.89 -45.08 0 2 -1 40 169.587 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 125 - 130 Enamine Building Blocks
MP 125...130 Enamine Building Blocks
M.P 76-79 °C Indofine
MP 76-79° Oakwood Chemical
mp 77 - 78 MolMall (formerly Molecular Diversity Preservation International)
Mp [°C] 77 - 80 Acros Organics
Melting_Point 77-80? Alfa-Aesar
Melting_Point 77-80° Alfa-Aesar
MP 81 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% APIChem
Purity 98% Fluorochem
H phrase H314: Causes severe skin burns and eye damage; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
SOLUBILITY methanol: 0.1 g/mL, clear, colorless Indofine
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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