UCSF

ZINC12943682

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 12 Yes

Popular Name: 3-Chloro-4-ethoxybenzonitrile 3-Chloro-4-ethoxybenzonitrile

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CAS Numbers: 916596-02-6 , [916596-02-6]

Other Names:

MFCD10666511

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) 2.73 5.67 -6.07 0 2 0 33 181.622 2 ↓

Vendor Notes

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

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