UCSF

ZINC08729860

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 13 No

Popular Name: 4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole 4-(chloromethyl)-1-phenyl-1H-1,2…

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CAS Numbers: 924868-97-3 , N/A

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) 1.94 5.57 -10.12 0 3 0 31 193.637 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 113 - 115 KeyOrganics
MP 113-115° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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