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139326-90-2 | Pyridinium, 1-[(4-chlorophenyl)methyl]-4-methyl-, bromide (1:1)
CAS No: 139326-90-2 Catalog No: AG001AQN MDL No:
Product Description
Catalog Number:
AG001AQN
Chemical Name:
Pyridinium, 1-[(4-chlorophenyl)methyl]-4-methyl-, bromide (1:1)
CAS Number:
139326-90-2
Molecular Formula:
C13H13BrClN
Molecular Weight:
298.6060
IUPAC Name:
1-[(4-chlorophenyl)methyl]-4-methylpyridin-1-ium;bromide
InChI:
InChI=1S/C13H13ClN.BrH/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChI Key:
FMEIXJXDGVNPMF-UHFFFAOYSA-M
SMILES:
Cc1cc[n+](cc1)Cc1ccc(cc1)Cl.[Br-]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.608g/mol
Monoisotopic Mass:
296.992g/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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