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192881-81-5 | 1H-Imidazolium, 1,3-bis[(4-fluorophenyl)methyl]-4,5-dimethyl-, bromide (1:1)
CAS No: 192881-81-5 Catalog No: AG002GG2 MDL No:
Product Description
Catalog Number:
AG002GG2
Chemical Name:
1H-Imidazolium, 1,3-bis[(4-fluorophenyl)methyl]-4,5-dimethyl-, bromide (1:1)
CAS Number:
192881-81-5
Molecular Formula:
C19H21BrF2N2
Molecular Weight:
395.2842
IUPAC Name:
1,3-bis[(4-fluorophenyl)methyl]-4,5-dimethyl-1,2-dihydroimidazol-1-ium;bromide
InChI:
InChI=1S/C19H20F2N2.BrH/c1-14-15(2)23(12-17-5-9-19(21)10-6-17)13-22(14)11-16-3-7-18(20)8-4-16;/h3-10H,11-13H2,1-2H3;1H
InChI Key:
HZKUDSCFLUILCL-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CN1C[NH+](C(=C1C)C)Cc1ccc(cc1)F.[Br-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.292g/mol
Monoisotopic Mass:
394.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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