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Home > Nitro Compounds > 88091-80-9
88091-80-9 | 9H-Indeno[2,1-b]pyridinium, 1-benzoyl-7-nitro-, chloride
CAS No: 88091-80-9 Catalog No: AG004EJT MDL No:
Product Description
Catalog Number:
AG004EJT
Chemical Name:
9H-Indeno[2,1-b]pyridinium, 1-benzoyl-7-nitro-, chloride
CAS Number:
88091-80-9
Molecular Formula:
C19H13ClN2O3
Molecular Weight:
352.7711
IUPAC Name:
(7-nitro-9H-indeno[2,1-b]pyridin-1-ium-1-yl)-phenylmethanone;chloride
InChI:
InChI=1S/C19H13N2O3.ClH/c22-19(13-5-2-1-3-6-13)20-10-4-7-17-16-9-8-15(21(23)24)11-14(16)12-18(17)20;/h1-11H,12H2;1H/q+1;/p-1
InChI Key:
FAKXXGZTYYHCAE-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc2c(c1)Cc1c2ccc[n+]1C(=O)c1ccccc1.[Cl-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.061g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.774g/mol
Monoisotopic Mass:
352.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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