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89290-93-7 | Pyridinium, 4-phenyl-1-(phenylmethyl)-, bromide
CAS No: 89290-93-7 Catalog No: AG00406E MDL No:
Product Description
Catalog Number:
AG00406E
Chemical Name:
Pyridinium, 4-phenyl-1-(phenylmethyl)-, bromide
CAS Number:
89290-93-7
Molecular Formula:
C18H16BrN
Molecular Weight:
326.2303
IUPAC Name:
1-benzyl-4-phenylpyridin-1-ium;bromide
InChI:
InChI=1S/C18H16N.BrH/c1-3-7-16(8-4-1)15-19-13-11-18(12-14-19)17-9-5-2-6-10-17;/h1-14H,15H2;1H/q+1;/p-1
InChI Key:
FXAKLAFJZJFJRY-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1ccc(cc1)c1ccccc1.[Br-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.237g/mol
Monoisotopic Mass:
325.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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