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2654-66-2 | Pyridinium, 2-methyl-1-(phenylmethyl)-, bromide (1:1)
CAS No: 2654-66-2 Catalog No: AG002TMJ MDL No:
Product Description
Catalog Number:
AG002TMJ
Chemical Name:
Pyridinium, 2-methyl-1-(phenylmethyl)-, bromide (1:1)
CAS Number:
2654-66-2
Molecular Formula:
C13H14BrN
Molecular Weight:
264.1610
IUPAC Name:
1-benzyl-2-methylpyridin-1-ium;bromide
InChI:
InChI=1S/C13H14N.BrH/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
LKGFNNSOZPTLSS-UHFFFAOYSA-M
SMILES:
Cc1cccc[n+]1Cc1ccccc1.[Br-]
EC Number:
220-182-7
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.166g/mol
Monoisotopic Mass:
263.031g/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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