UCSF

ZINC00169953

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: 3-(4-chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde 3-(4-chlorophenyl)-2,1-benzisoxa…

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CAS Numbers: 328272-55-5 , 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) 4.09 7.84 -10.98 0 3 0 43 257.676 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 196 KeyOrganics
MP 194-196° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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