UCSF

ZINC00153779

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: ethyl 5-nitro-1H-indole-2-carboxylate ethyl 5-nitro-1H-indole-2-carbox…

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CAS Numbers: 16732-57-3 , [16732-57-3]

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) 2.54 1.42 -8.6 1 6 0 87 234.211 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 220 - 225 Acros Organics
MP 223-225° Matrix Scientific
Purity 98% Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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