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204320-24-1 | Pyridinium, 1-decyl-3-[(hydroxyimino)methyl]-, bromide (1:1)
CAS No: 204320-24-1 Catalog No: AG0029FB MDL No:
Product Description
Catalog Number:
AG0029FB
Chemical Name:
Pyridinium, 1-decyl-3-[(hydroxyimino)methyl]-, bromide (1:1)
CAS Number:
204320-24-1
Molecular Formula:
C16H27BrN2O
Molecular Weight:
343.3024
IUPAC Name:
N-[(1-decylpyridin-1-ium-3-yl)methylidene]hydroxylamine;bromide
InChI:
InChI=1S/C16H26N2O.BrH/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-16(15-18)14-17-19;/h10-11,13-15H,2-9,12H2,1H3;1H
InChI Key:
YQBWLIRZIRBVJP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC[n+]1cccc(c1)C=NO.[Br-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.309g/mol
Monoisotopic Mass:
342.131g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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