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Home > Bromides > 1173721-45-3
1173721-45-3 | 1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 5-bromo-1-methyl-
CAS No: 1173721-45-3 Catalog No: AG000E60 MDL No:MFCD21602948
Product Description
Catalog Number:
AG000E60
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 5-bromo-1-methyl-
CAS Number:
1173721-45-3
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD21602948
IUPAC Name:
5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione
InChI:
InChI=1S/C8H5BrN2O2/c1-11-7-5(6(12)8(11)13)2-4(9)3-10-7/h2-3H,1H3
InChI Key:
AJQKBOXVCYDTSS-UHFFFAOYSA-N
SMILES:
CN1C(=O)C(=O)c2c1ncc(c2)Br
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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