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88757-57-7 | Acetonitrile, [(7-bromo-5-chloro-2-methyl-8-quinolinyl)oxy]-
CAS No: 88757-57-7 Catalog No: AG004CI4 MDL No:
Product Description
Catalog Number:
AG004CI4
Chemical Name:
Acetonitrile, [(7-bromo-5-chloro-2-methyl-8-quinolinyl)oxy]-
CAS Number:
88757-57-7
Molecular Formula:
C12H8BrClN2O
Molecular Weight:
311.5617
IUPAC Name:
2-(7-bromo-5-chloro-2-methylquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C12H8BrClN2O/c1-7-2-3-8-10(14)6-9(13)12(11(8)16-7)17-5-4-15/h2-3,6H,5H2,1H3
InChI Key:
GFHIKCPUIASLER-UHFFFAOYSA-N
SMILES:
N#CCOc1c(Br)cc(c2c1nc(C)cc2)Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.951g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.563g/mol
Monoisotopic Mass:
309.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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