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Home > Nitro Compounds > 77148-91-5
77148-91-5 | Pyridinium, 1-methyl-2-[[(3-nitrophenyl)methyl]thio]-, chloride
CAS No: 77148-91-5 Catalog No: AG005Q27 MDL No:
Product Description
Catalog Number:
AG005Q27
Chemical Name:
Pyridinium, 1-methyl-2-[[(3-nitrophenyl)methyl]thio]-, chloride
CAS Number:
77148-91-5
Molecular Formula:
C13H13ClN2O2S
Molecular Weight:
296.7725
IUPAC Name:
1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium;chloride
InChI:
InChI=1S/C13H13N2O2S.ClH/c1-14-8-3-2-7-13(14)18-10-11-5-4-6-12(9-11)15(16)17;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChI Key:
KNHOOTZWPPNXCI-UHFFFAOYSA-M
SMILES:
C[n+]1ccccc1SCc1cccc(c1)[N+](=O)[O-].[Cl-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.769g/mol
Monoisotopic Mass:
296.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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