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207598-46-7 | Quinolinium, 1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]-, bromide (1:1)
CAS No: 207598-46-7 Catalog No: AG002J4Z MDL No:
Product Description
Catalog Number:
AG002J4Z
Chemical Name:
Quinolinium, 1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]-, bromide (1:1)
CAS Number:
207598-46-7
Molecular Formula:
C20H14BrNO3
Molecular Weight:
396.2341
IUPAC Name:
3-(2-quinolin-1-ium-1-ylacetyl)chromen-2-one;bromide
InChI:
InChI=1S/C20H14NO3.BrH/c22-18(13-21-11-5-8-14-6-1-3-9-17(14)21)16-12-15-7-2-4-10-19(15)24-20(16)23;/h1-12H,13H2;1H/q+1;/p-1
InChI Key:
CFNHGIPDACNWFC-UHFFFAOYSA-M
SMILES:
O=C(c1cc2ccccc2oc1=O)C[n+]1cccc2c1cccc2.[Br-]
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.016g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.24g/mol
Monoisotopic Mass:
395.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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