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Home > Aldehydes > 1185428-32-3
1185428-32-3 | 2-BroMo-5H-pyrrolo[2,3-b]pyrazine-7-carboxaldehyde
CAS No: 1185428-32-3 Catalog No: AG0092SM MDL No:MFCD17015976
Product Description
Catalog Number:
AG0092SM
Chemical Name:
2-BroMo-5H-pyrrolo[2,3-b]pyrazine-7-carboxaldehyde
CAS Number:
1185428-32-3
Molecular Formula:
C7H4BrN3O
Molecular Weight:
226.0302
MDL Number:
MFCD17015976
IUPAC Name:
2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
InChI:
InChI=1S/C7H4BrN3O/c8-5-2-10-7-6(11-5)4(3-12)1-9-7/h1-3H,(H,9,10)
InChI Key:
KTQCGYNMGWTOHT-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(n1)c(C=O)c[nH]2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.033g/mol
Monoisotopic Mass:
224.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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