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113918-49-3 | Pyridinium, 2-bromo-1-[(2-cyanophenyl)methyl]-, bromide (1:1)
CAS No: 113918-49-3 Catalog No: AG000A2G MDL No:
Product Description
Catalog Number:
AG000A2G
Chemical Name:
Pyridinium, 2-bromo-1-[(2-cyanophenyl)methyl]-, bromide (1:1)
CAS Number:
113918-49-3
Molecular Formula:
C13H10Br2N2
Molecular Weight:
354.0399
IUPAC Name:
2-[(2-bromopyridin-1-ium-1-yl)methyl]benzonitrile;bromide
InChI:
InChI=1S/C13H10BrN2.BrH/c14-13-7-3-4-8-16(13)10-12-6-2-1-5-11(12)9-15;/h1-8H,10H2;1H/q+1;/p-1
InChI Key:
NLVNOUVSFBCFBU-UHFFFAOYSA-M
SMILES:
N#Cc1ccccc1C[n+]1ccccc1Br.[Br-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.919g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.045g/mol
Monoisotopic Mass:
351.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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