UCSF

ZINC00170375

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 3-(1,3-benzoxazol-2-yl)-4-fluoroaniline 3-(1,3-benzoxazol-2-yl)-4-fluoro…

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CAS Numbers: 220705-28-2 , [220705-28-2]

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) 2.82 -1.65 -12.23 2 3 0 52 228.226 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 153 - 156 KeyOrganics
MP 153-156° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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