UCSF

ZINC12360049

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 Yes

Popular Name: 2-Bromopyridine-4-methanol 2-Bromopyridine-4-methanol

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CAS Numbers: 118289-16-0 , [118289-16-0]

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) 1.14 0.54 -6.6 1 2 0 33 188.024 1 ↓
Lo Low (pH 4.5-6) 1.14 0.83 -30.79 2 2 1 34 189.032 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 58-61° Matrix Scientific
Melting_Point 59-63? Alfa-Aesar
Melting_Point 59-63° Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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