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13160-93-5 | Pyridinium, 1-[(2-bromophenyl)methyl]-, bromide (1:1)
CAS No: 13160-93-5 Catalog No: AG000ZHI MDL No:
Product Description
Catalog Number:
AG000ZHI
Chemical Name:
Pyridinium, 1-[(2-bromophenyl)methyl]-, bromide (1:1)
CAS Number:
13160-93-5
Molecular Formula:
C12H11Br2N
Molecular Weight:
329.0304
IUPAC Name:
1-[(2-bromophenyl)methyl]pyridin-1-ium;bromide
InChI:
InChI=1S/C12H11BrN.BrH/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
ZPOJSETZYAOVDO-UHFFFAOYSA-M
SMILES:
Brc1ccccc1C[n+]1ccccc1.[Br-]
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.924g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.035g/mol
Monoisotopic Mass:
326.926g/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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