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1011711-60-6 | Ethanone, 1-(6-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS No: 1011711-60-6 Catalog No: AG0003W7 MDL No:
Product Description
Catalog Number:
AG0003W7
Chemical Name:
Ethanone, 1-(6-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS Number:
1011711-60-6
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
IUPAC Name:
1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
InChI:
InChI=1S/C9H7BrN2O/c1-5(13)7-4-11-9-6(7)2-3-8(10)12-9/h2-4H,1H3,(H,11,12)
InChI Key:
XSHRQVRNFDDZPD-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(n1)[nH]cc2C(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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