UCSF

ZINC02044984

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 No

Popular Name: 1-(2-Nitrophenyl)ethanol 1-(2-Nitrophenyl)ethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108530-03-6 , 15121-84-3 , 3205-25-2 , [3205-25-2]

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) 1.41 3.2 -8.9 1 4 0 66 167.164 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0185762B1 IBM Patent Data

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