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100906-89-6 | Pyridinium, 3-(aminocarbonyl)-1-(4-ethylphenyl)-, chloride (1:1)
CAS No: 100906-89-6 Catalog No: AG000359 MDL No:
Product Description
Catalog Number:
AG000359
Chemical Name:
Pyridinium, 3-(aminocarbonyl)-1-(4-ethylphenyl)-, chloride (1:1)
CAS Number:
100906-89-6
Molecular Formula:
C14H15ClN2O
Molecular Weight:
262.7347
IUPAC Name:
1-(4-ethylphenyl)pyridin-1-ium-3-carboxamide;chloride
InChI:
InChI=1S/C14H14N2O.ClH/c1-2-11-5-7-13(8-6-11)16-9-3-4-12(10-16)14(15)17;/h3-10H,2H2,1H3,(H-,15,17);1H
InChI Key:
SFWCCZIIOXNGPK-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)[n+]1cccc(c1)C(=O)N.[Cl-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.737g/mol
Monoisotopic Mass:
262.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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