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81593-16-0 | Pyridinium, 1-hexyl-4-[(hydroxyimino)methyl]-, bromide
CAS No: 81593-16-0 Catalog No: AG0051LY MDL No:
Product Description
Catalog Number:
AG0051LY
Chemical Name:
Pyridinium, 1-hexyl-4-[(hydroxyimino)methyl]-, bromide
CAS Number:
81593-16-0
Molecular Formula:
C12H19BrN2O
Molecular Weight:
287.1961
IUPAC Name:
N-[(1-hexylpyridin-1-ium-4-yl)methylidene]hydroxylamine;bromide
InChI:
InChI=1S/C12H18N2O.BrH/c1-2-3-4-5-8-14-9-6-12(7-10-14)11-13-15;/h6-7,9-11H,2-5,8H2,1H3;1H
InChI Key:
SJZWYZOGGDGCPG-UHFFFAOYSA-N
SMILES:
CCCCCC[n+]1ccc(cc1)C=NO.[Br-]
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.201g/mol
Monoisotopic Mass:
286.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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