UCSF

ZINC00158143

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 5-(3-chlorophenyl)-2-furaldehyde 5-(3-chlorophenyl)-2-furaldehyde

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CAS Numbers: 22078-59-7 , [22078-59-7]

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) 3.56 2.37 -12.92 0 2 0 30 206.628 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 115 - 117 KeyOrganics
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.