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Home > Aldehydes > 1368231-60-0
1368231-60-0 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 5-bromo-
CAS No: 1368231-60-0 Catalog No: AG0012EJ MDL No:
Product Description
Catalog Number:
AG0012EJ
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 5-bromo-
CAS Number:
1368231-60-0
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
IUPAC Name:
5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C8H5BrN2O/c9-6-1-5-2-7(4-12)11-8(5)10-3-6/h1-4H,(H,10,11)
InChI Key:
CXZJORQGBPDWGM-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c([nH]1)ncc(c2)Br
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:
1.8
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