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27387-18-4 | 1-(2-Oxo-2-phenylethyl)pyridin-1-ium perchlorate
CAS No: 27387-18-4 Catalog No: AG01EUNO MDL No:
Product Description
Catalog Number:
AG01EUNO
Chemical Name:
1-(2-Oxo-2-phenylethyl)pyridin-1-ium perchlorate
CAS Number:
27387-18-4
Molecular Formula:
C13H12ClNO5
Molecular Weight:
297.6911
IUPAC Name:
1-phenyl-2-pyridin-1-ium-1-ylethanone;perchlorate
InChI:
InChI=1S/C13H12NO.ClHO4/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;2-1(3,4)5/h1-10H,11H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
RSJBEZLMNKXNSH-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.O=C(c1ccccc1)C[n+]1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.04g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.691g/mol
Monoisotopic Mass:
297.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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