Home Halogens 6,7-dibromo-4-hydroxy-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

6,7-dibromo-4-hydroxy-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

CAS No.:
219783-00-3
Catalog Number:
AG01A6TI
Molecular Formula:
C7H6Br2N2O2
Molecular Weight:
309.9427
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Product Description
Catalog Number:
AG01A6TI
Chemical Name:
6,7-dibromo-4-hydroxy-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one
CAS Number:
219783-00-3
Molecular Formula:
C7H6Br2N2O2
Molecular Weight:
309.9427
MDL Number:
MFCD25970428
IUPAC Name:
6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
InChI:
InChI=1S/C7H6Br2N2O2/c8-3-1-4-7(13)10-2-5(12)11(4)6(3)9/h1,5,12H,2H2,(H,10,13)
InChI Key:
NUVAABCZBKHWMX-UHFFFAOYSA-N
SMILES:
OC1CNC(=O)c2n1c(Br)c(c2)Br
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.878g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
309.945g/mol
Monoisotopic Mass:
307.88g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Agelastatin E, agelastatin F, and benzosceptrin C from the marine sponge Agelas dendromorpha. Journal of natural products 20100423
Properties