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Home > Bromides > 1228552-87-1
1228552-87-1 | Ethanone, 1-(7-bromo-3-quinolinyl)-
CAS No: 1228552-87-1 Catalog No: AG000JMG MDL No:
Product Description
Catalog Number:
AG000JMG
Chemical Name:
Ethanone, 1-(7-bromo-3-quinolinyl)-
CAS Number:
1228552-87-1
Molecular Formula:
C11H8BrNO
Molecular Weight:
250.0913
IUPAC Name:
1-(7-bromoquinolin-3-yl)ethanone
InChI:
InChI=1S/C11H8BrNO/c1-7(14)9-4-8-2-3-10(12)5-11(8)13-6-9/h2-6H,1H3
InChI Key:
LYQOPNMWQZTJHA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ncc(c2)C(=O)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.095g/mol
Monoisotopic Mass:
248.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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