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26467-86-7 | Pyridinium, 4-[2-(4-bromophenyl)ethenyl]-1-methyl-, iodide (1:1)
CAS No: 26467-86-7 Catalog No: AG002TCB MDL No:
Product Description
Catalog Number:
AG002TCB
Chemical Name:
Pyridinium, 4-[2-(4-bromophenyl)ethenyl]-1-methyl-, iodide (1:1)
CAS Number:
26467-86-7
Molecular Formula:
C14H13BrIN
Molecular Weight:
402.0682
IUPAC Name:
4-[2-(4-bromophenyl)ethenyl]-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C14H13BrN.HI/c1-16-10-8-13(9-11-16)3-2-12-4-6-14(15)7-5-12;/h2-11H,1H3;1H/q+1;/p-1
InChI Key:
UFYIXCJJBBKNTM-UHFFFAOYSA-M
SMILES:
Brc1ccc(cc1)C=Cc1cc[n+](cc1)C.[I-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.928g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.073g/mol
Monoisotopic Mass:
400.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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