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1263280-06-3 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 5-bromo-1,3-dihydro-3,3-dimethyl-
CAS No: 1263280-06-3 Catalog No: AG000SL0 MDL No:
Product Description
Catalog Number:
AG000SL0
Chemical Name:
2H-Pyrrolo[2,3-b]pyridin-2-one, 5-bromo-1,3-dihydro-3,3-dimethyl-
CAS Number:
1263280-06-3
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
IUPAC Name:
5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C9H9BrN2O/c1-9(2)6-3-5(10)4-11-7(6)12-8(9)13/h3-4H,1-2H3,(H,11,12,13)
InChI Key:
OBRVKOXWMFKRCE-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)C)cc(cn2)Br
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.088g/mol
Monoisotopic Mass:
239.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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