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140429-24-9 | Pyridinium, 1-[chloro(3-nitrophenyl)methyl]-, chloride (1:1)
CAS No: 140429-24-9 Catalog No: AG001CEQ MDL No:
Product Description
Catalog Number:
AG001CEQ
Chemical Name:
Pyridinium, 1-[chloro(3-nitrophenyl)methyl]-, chloride (1:1)
CAS Number:
140429-24-9
Molecular Formula:
C12H10Cl2N2O2
Molecular Weight:
285.1260
IUPAC Name:
1-[chloro-(3-nitrophenyl)methyl]pyridin-1-ium;chloride
InChI:
InChI=1S/C12H10ClN2O2.ClH/c13-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)15(16)17;/h1-9,12H;1H/q+1;/p-1
InChI Key:
HFCJVICRYOINLJ-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cccc(c1)C([n+]1ccccc1)Cl.[Cl-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.124g/mol
Monoisotopic Mass:
284.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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