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88440-76-0 | Quinolinium, 1-[[4-(trifluoromethyl)phenyl]methyl]-, bromide
CAS No: 88440-76-0 Catalog No: AG004HCA MDL No:
Product Description
Catalog Number:
AG004HCA
Chemical Name:
Quinolinium, 1-[[4-(trifluoromethyl)phenyl]methyl]-, bromide
CAS Number:
88440-76-0
Molecular Formula:
C17H13BrF3N
Molecular Weight:
368.1910
IUPAC Name:
1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-1-ium;bromide
InChI:
InChI=1S/C17H13F3N.BrH/c18-17(19,20)15-9-7-13(8-10-15)12-21-11-3-5-14-4-1-2-6-16(14)21;/h1-11H,12H2;1H/q+1;/p-1
InChI Key:
CFUFUSBRWURRDF-UHFFFAOYSA-M
SMILES:
FC(c1ccc(cc1)C[n+]1cccc2c1cccc2)(F)F.[Br-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.018g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.197g/mol
Monoisotopic Mass:
367.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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