UCSF

ZINC00155644

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 5-Chloro-2-methylindole 5-Chloro-2-methylindole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1075-35-0 , [1075-35-0]

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) 3.04 0.11 -4.61 1 1 0 15 165.623 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 110 - 114 Enamine Building Blocks
Melting_Point 110-114? Alfa-Aesar
Melting_Point 110-114° Alfa-Aesar
Mp [°C] 112 - 118 Acros Organics
MP 115 - 117 Enamine Building Blocks
MP 115...117 Enamine Building Blocks
MP 117 TCI
BP 140 / 0.1 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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