UCSF

ZINC03883124

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 10 No

Popular Name: 1-[(ammoniooxy)methyl]-3-chlorobenzene chloride 1-[(ammoniooxy)methyl]-3-chlorob…

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CAS Numbers: 29605-78-5 , [29605-78-5]

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) 1.93 3.07 -3.83 2 2 0 35 157.6 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 206 - 212 KeyOrganics
MP 206-212° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.