UCSF

ZINC02568096

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 Yes

Popular Name: 6-bromo-2-methylquinoline 6-bromo-2-methylquinoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 877-42-9 , [877-42-9]

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) 2.78 -0.29 -5.37 0 1 0 13 222.085 0 ↓
Lo Low (pH 4.5-6) 2.78 -0.24 -29.59 1 1 1 14 223.093 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-103? Alfa-Aesar
Melting_Point 100-103° Alfa-Aesar
MP 101 - 105 Enamine Building Blocks
MP 101...105 Enamine Building Blocks
MP 102-104° Matrix Scientific
MP 104 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific

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