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1190310-50-9 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 4-bromo-5-fluoro-1,3-dihydro-
CAS No: 1190310-50-9 Catalog No: AG000HFX MDL No:
Product Description
Catalog Number:
AG000HFX
Chemical Name:
2H-Pyrrolo[2,3-b]pyridin-2-one, 4-bromo-5-fluoro-1,3-dihydro-
CAS Number:
1190310-50-9
Molecular Formula:
C7H4BrFN2O
Molecular Weight:
231.0219
IUPAC Name:
4-bromo-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C7H4BrFN2O/c8-6-3-1-5(12)11-7(3)10-2-4(6)9/h2H,1H2,(H,10,11,12)
InChI Key:
IYFRREXTUKNJQV-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)c(Br)c(cn2)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.024g/mol
Monoisotopic Mass:
229.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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