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875639-57-9 | Ethanone, 2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS No: 875639-57-9 Catalog No: AG004MEC MDL No:
Product Description
Catalog Number:
AG004MEC
Chemical Name:
Ethanone, 2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS Number:
875639-57-9
Molecular Formula:
C9H6Br2N2O
Molecular Weight:
317.9647
IUPAC Name:
2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
InChI:
InChI=1S/C9H6Br2N2O/c10-2-8(14)7-4-13-9-6(7)1-5(11)3-12-9/h1,3-4H,2H2,(H,12,13)
InChI Key:
HZAGREPMAASIKR-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1c[nH]c2c1cc(Br)cn2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.883g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.968g/mol
Monoisotopic Mass:
315.885g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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