UCSF

ZINC04666713

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2005 16 No

Popular Name: 1-(4-(3-chloropropoxy)-3-methoxyphenyl)ethanone 1-(4-(3-chloropropoxy)-3-methoxy…

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CAS Numbers: 58113-30-7 , [58113-30-7]

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) 2.36 1.79 -11.87 0 3 0 35 242.702 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 6.100000000000000e+001 - 6.400000000000000e+001 KeyOrganics
melting_point 61 - 64 KeyOrganics
MP 61-64° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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