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Home > Bromides > 1416439-88-7
1416439-88-7 | Ethanone, 1-(7-bromo-4-quinolinyl)-
CAS No: 1416439-88-7 Catalog No: AG001GS3 MDL No:
Product Description
Catalog Number:
AG001GS3
Chemical Name:
Ethanone, 1-(7-bromo-4-quinolinyl)-
CAS Number:
1416439-88-7
Molecular Formula:
C11H8BrNO
Molecular Weight:
250.0913
IUPAC Name:
1-(7-bromoquinolin-4-yl)ethanone
InChI:
InChI=1S/C11H8BrNO/c1-7(14)9-4-5-13-11-6-8(12)2-3-10(9)11/h2-6H,1H3
InChI Key:
FHXXHGSCUIJZJZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nccc2C(=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:
2.7
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