UCSF

ZINC02548829

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 No

Popular Name: 2-(chloromethyl)-1,3-benzoxazole 2-(chloromethyl)-1,3-benzoxazole

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CAS Numbers: , 41014-43-1 , [41014-43-1]

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) 2.54 -1.13 -7.94 0 2 0 26 167.595 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 75°/0.2mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
melting_point BP: 75 @ 0.2 mBar KeyOrganics
Warnings IRRITANT Matrix Scientific

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