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88091-78-5 | 9H-Indeno[2,1-b]pyridinium, 1-benzoyl-, chloride
CAS No: 88091-78-5 Catalog No: AG004GWM MDL No:
Product Description
Catalog Number:
AG004GWM
Chemical Name:
9H-Indeno[2,1-b]pyridinium, 1-benzoyl-, chloride
CAS Number:
88091-78-5
Molecular Formula:
C19H14ClNO
Molecular Weight:
307.7736
IUPAC Name:
9H-indeno[2,1-b]pyridin-1-ium-1-yl(phenyl)methanone;chloride
InChI:
InChI=1S/C19H14NO.ClH/c21-19(14-7-2-1-3-8-14)20-12-6-11-17-16-10-5-4-9-15(16)13-18(17)20;/h1-12H,13H2;1H/q+1;/p-1
InChI Key:
KMDRZENCEGYENB-UHFFFAOYSA-M
SMILES:
O=C([n+]1cccc2c1Cc1c2cccc1)c1ccccc1.[Cl-]
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.777g/mol
Monoisotopic Mass:
307.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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