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88539-28-0 | 1H-Imidazolium, 1-acetyl-3-(7-cyanoheptyl)-, bromide
CAS No: 88539-28-0 Catalog No: AG004CRF MDL No:
Product Description
Catalog Number:
AG004CRF
Chemical Name:
1H-Imidazolium, 1-acetyl-3-(7-cyanoheptyl)-, bromide
CAS Number:
88539-28-0
Molecular Formula:
C13H22BrN3O
Molecular Weight:
316.2373
IUPAC Name:
8-(1-acetyl-1,2-dihydroimidazol-1-ium-3-yl)octanenitrile;bromide
InChI:
InChI=1S/C13H21N3O.BrH/c1-13(17)16-11-10-15(12-16)9-7-5-3-2-4-6-8-14;/h10-11H,2-7,9,12H2,1H3;1H
InChI Key:
WXLJOFQFTYJUCU-UHFFFAOYSA-N
SMILES:
N#CCCCCCCCN1C=C[NH+](C1)C(=O)C.[Br-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.243g/mol
Monoisotopic Mass:
315.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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