UCSF

ZINC12360602

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 No

Popular Name: 2-(2-chloroethyl)pyridine 2-(2-chloroethyl)pyridine

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CAS Numbers: 16927-00-7 , 4226-37-3 , [16927-00-7] , [4226-37-3]

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) 1.55 4.78 -3.84 0 1 0 13 141.601 2 ↓
Lo Low (pH 4.5-6) 1.55 5.06 -31.87 1 1 1 14 142.609 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

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