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113559-18-5 | Ethanone, 2-bromo-1-imidazo[1,2-a]pyridin-3-yl-
CAS No: 113559-18-5 Catalog No: AG000908 MDL No:
Product Description
Catalog Number:
AG000908
Chemical Name:
Ethanone, 2-bromo-1-imidazo[1,2-a]pyridin-3-yl-
CAS Number:
113559-18-5
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
IUPAC Name:
2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone
InChI:
InChI=1S/C9H7BrN2O/c10-5-8(13)7-6-11-9-3-1-2-4-12(7)9/h1-4,6H,5H2
InChI Key:
QGFGDFNPKLHQRE-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cnc2n1cccc2
Properties
Complexity:
210
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:
0
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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