UCSF

ZINC02385701

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 14 No

Popular Name: 5-(4-chlorophenyl)-2-thiophenecarbaldehyde 5-(4-chlorophenyl)-2-thiopheneca…

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CAS Numbers: 38401-71-7 , [38401-71-7]

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) 4.22 0.87 -5.81 0 1 0 17 222.696 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 83 - 87 Enamine Building Blocks
MP 84 - 86 Enamine Building Blocks
MP 84...86 Enamine Building Blocks
melting_point 85 - 86 KeyOrganics
MP 85-86° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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