UCSF

ZINC00507384

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 No

Popular Name: 3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one 3-bromo-1,7,7-trimethylbicyclo[2…

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CAS Numbers: , 10293-06-8 , 76-29-9 , [76-29-9]

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) 2.61 6.11 -4.93 0 1 0 17 231.133 0 ↓

Vendor Notes

Note Type Comments Provided By
mp 74 - 75 MolMall (formerly Molecular Diversity Preservation International)
MP 74-78° Oakwood Chemical
Purity 97% APIChem

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