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149142-67-6 | 1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 5-bromo-
CAS No: 149142-67-6 Catalog No: AG001LF4 MDL No:MFCD13193450
Product Description
Catalog Number:
AG001LF4
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 5-bromo-
CAS Number:
149142-67-6
Molecular Formula:
C7H3BrN2O2
Molecular Weight:
227.0149
MDL Number:
MFCD13193450
IUPAC Name:
5-bromo-1H-pyrrolo[2,3-b]pyridine-2,3-dione
InChI:
InChI=1S/C7H3BrN2O2/c8-3-1-4-5(11)7(12)10-6(4)9-2-3/h1-2H,(H,9,10,11,12)
InChI Key:
RAIHKZDTYPKUHB-UHFFFAOYSA-N
SMILES:
Brc1cc2C(=O)C(=O)Nc2nc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.938g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.017g/mol
Monoisotopic Mass:
225.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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