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Home  > Chemistry  > Heterocyclic Building Blocks  > Other Aromatic Heterocycles  > Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate

AE71690

1251001-37-2 | Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate

Packsize Purity Availability Price Discounted Price    Quantity
250mg 95% in stock $642.00 $449.00 -   +
1g 95% in stock $1,271.00 $890.00 -   +

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Description
Catalog Number: AE71690
Chemical Name: Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate
CAS Number: 1251001-37-2
Molecular Formula: C16H16ClN3O2
Molecular Weight: 317.7701
MDL Number: MFCD11111521
SMILES: O=C(N1CCc2c(CC1)ncnc2Cl)OCc1ccccc1

 

Computed Properties
Complexity: 376  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 4  
Rotatable Bond Count: 3  
XLogP3: 2.9  

 

 

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