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1586-16-9

1586-16-9 | Pyridinium, 1-[(4-bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)-, bromide (1:1)

CAS No: 1586-16-9 Catalog No: AG001QC2 MDL No:

Product Description

Catalog Number:
AG001QC2
Chemical Name:
Pyridinium, 1-[(4-bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)-, bromide (1:1)
CAS Number:
1586-16-9
Molecular Formula:
C15H15Br2NO2
Molecular Weight:
401.0931
IUPAC Name:
1-[(4-bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)pyridin-1-ium;bromide
InChI:
InChI=1S/C15H15BrNO2.BrH/c16-13-6-4-12(5-7-13)11-17-8-2-1-3-14(17)15-18-9-10-19-15;/h1-8,15H,9-11H2;1H/q+1;/p-1
InChI Key:
CRUURPAGBCHVHS-UHFFFAOYSA-M
SMILES:
Brc1ccc(cc1)C[n+]1ccccc1C1OCCO1.[Br-]

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.945g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.098g/mol
Monoisotopic Mass:
398.947g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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