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125713-89-5 | Pyridinium, 1-[bromo(4-methylphenyl)methyl]-
CAS No: 125713-89-5 Catalog No: AG000OJN MDL No:
Product Description
Catalog Number:
AG000OJN
Chemical Name:
Pyridinium, 1-[bromo(4-methylphenyl)methyl]-
CAS Number:
125713-89-5
Molecular Formula:
C13H13BrN+
Molecular Weight:
263.1530
IUPAC Name:
1-[bromo-(4-methylphenyl)methyl]pyridin-1-ium
InChI:
InChI=1S/C13H13BrN/c1-11-5-7-12(8-6-11)13(14)15-9-3-2-4-10-15/h2-10,13H,1H3/q+1
InChI Key:
MNJYOZLEQPIBCG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C([n+]1ccccc1)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.023g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.158g/mol
Monoisotopic Mass:
262.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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