UCSF

ZINC32164776

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 14 No

Popular Name: Methyl 2-(3-nitrophenyl)acetate Methyl 2-(3-nitrophenyl)acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10268-12-9 , [10268-12-9]

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) 1.91 6.64 -11.53 0 5 0 72 195.174 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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