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206564-95-6 | Pyridinium, 1-(3-phenyl-2-propen-1-yl)-, bromide (1:1)
CAS No: 206564-95-6 Catalog No: AG002ILA MDL No:
Product Description
Catalog Number:
AG002ILA
Chemical Name:
Pyridinium, 1-(3-phenyl-2-propen-1-yl)-, bromide (1:1)
CAS Number:
206564-95-6
Molecular Formula:
C14H14BrN
Molecular Weight:
276.1717
IUPAC Name:
1-(3-phenylprop-2-enyl)pyridin-1-ium;bromide
InChI:
InChI=1S/C14H14N.BrH/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15;/h1-12H,13H2;1H/q+1;/p-1
InChI Key:
YMVGASQBHJXSAC-UHFFFAOYSA-M
SMILES:
c1cc[n+](cc1)CC=Cc1ccccc1.[Br-]
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.177g/mol
Monoisotopic Mass:
275.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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