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AA00303

1000340-35-1 | 4-Bromo-1h-pyrrolo[2,3-b]pyridine-3-carbaldehyde

Packsize Purity Availability Price Discounted Price    Quantity
100mg 96% in stock $27.00 $19.00 -   +
250mg 96% in stock $40.00 $28.00 -   +
1g 96% in stock $155.00 $108.00 -   +

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Description
Catalog Number: AA00303
Chemical Name: 4-Bromo-1h-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS Number: 1000340-35-1
Molecular Formula: C8H5BrN2O
Molecular Weight: 225.0421
MDL Number: MFCD09880126
IUPAC Name: 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChl: InChI=1S/C8H5BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)
InChl Key: GVJOYNDJFISGTG-UHFFFAOYSA-N
SMILES: O=Cc1c[nH]c2c1c(Br)ccn2

 

Computed Properties
Complexity: 188  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 223.959g/mol
Formal Charge: 0
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0
Molecular Weight: 225.045g/mol
Monoisotopic Mass: 223.959g/mol
Rotatable Bond Count: 1  
Topological Polar Surface Area: 45.8A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.5  

 

 

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