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138617-70-6 | Pyridinium, 1-(3-bromo-1-propen-1-yl)-, bromide (1:1)
CAS No: 138617-70-6 Catalog No: AG0018WG MDL No:
Product Description
Catalog Number:
AG0018WG
Chemical Name:
Pyridinium, 1-(3-bromo-1-propen-1-yl)-, bromide (1:1)
CAS Number:
138617-70-6
Molecular Formula:
C8H9Br2N
Molecular Weight:
278.9718
IUPAC Name:
1-(3-bromoprop-1-enyl)pyridin-1-ium;bromide
InChI:
InChI=1S/C8H9BrN.BrH/c9-5-4-8-10-6-2-1-3-7-10;/h1-4,6-8H,5H2;1H/q+1;/p-1
InChI Key:
NPFXTWFGZLUEHQ-UHFFFAOYSA-M
SMILES:
BrCC=C[n+]1ccccc1.[Br-]
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.908g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.975g/mol
Monoisotopic Mass:
276.91g/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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