UCSF

ZINC06379953

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 18 Yes

Popular Name: methyl 4'-chloro-3'-fluoro[1,1'-biphenyl]-4-carboxylate methyl 4'-chloro-3'-fluoro[1,1'-…

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CAS Numbers: 886362-12-5 , N/A

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) 4.67 3.45 -8.31 0 2 0 26 264.683 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 8.800000000000000e+001 - 9.000000000000000e+001 KeyOrganics
melting_point 88 - 90 KeyOrganics
MP 88-90° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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