UCSF

ZINC00453020

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 20 Yes

Popular Name: 4-[(2-Chlorobenzyl)oxy]-3-methoxybenzoic acid 4-[(2-Chlorobenzyl)oxy]-3-methox…

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CAS Numbers: 113457-27-5 , [113457-27-5]

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) 3.72 1.22 -49.71 0 4 -1 58 291.71 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 143 - 145 Enamine Building Blocks
MP 143...145 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92 - 94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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