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Home > Pyridines > 191611-42-4
191611-42-4 | Pyridinium, 1-cyclopropyl-4-phenyl-, chloride (1:1)
CAS No: 191611-42-4 Catalog No: AG002FDI MDL No:
Product Description
Catalog Number:
AG002FDI
Chemical Name:
Pyridinium, 1-cyclopropyl-4-phenyl-, chloride (1:1)
CAS Number:
191611-42-4
Molecular Formula:
C14H14ClN
Molecular Weight:
231.7207
IUPAC Name:
1-cyclopropyl-4-phenylpyridin-1-ium;chloride
InChI:
InChI=1S/C14H14N.ClH/c1-2-4-12(5-3-1)13-8-10-15(11-9-13)14-6-7-14;/h1-5,8-11,14H,6-7H2;1H/q+1;/p-1
InChI Key:
UFBWTEYRSITPCI-UHFFFAOYSA-M
SMILES:
C1CC1[n+]1ccc(cc1)c1ccccc1.[Cl-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.723g/mol
Monoisotopic Mass:
231.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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