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Home > Nitro Compounds > 88091-84-3
88091-84-3 | Methanone, (7-nitro-1H-indeno[2,1-b]pyridin-9-yl)phenyl-
CAS No: 88091-84-3 Catalog No: AG004EJQ MDL No:
Product Description
Catalog Number:
AG004EJQ
Chemical Name:
Methanone, (7-nitro-1H-indeno[2,1-b]pyridin-9-yl)phenyl-
CAS Number:
88091-84-3
Molecular Formula:
C19H12N2O3
Molecular Weight:
316.3102
IUPAC Name:
(7-nitro-1H-indeno[2,1-b]pyridin-9-yl)-phenylmethanone
InChI:
InChI=1S/C19H12N2O3/c22-19(12-5-2-1-3-6-12)17-16-11-13(21(23)24)8-9-14(16)15-7-4-10-20-18(15)17/h1-11,20H
InChI Key:
NIBXRJQCNYLTJN-UHFFFAOYSA-N
SMILES:
O=C(c1c2cc(ccc2c2c1[nH]ccc2)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.316g/mol
Monoisotopic Mass:
316.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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