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404896-26-0 | 5-nitro-2-(pyridin-4-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 404896-26-0 Catalog No: AG019XHO MDL No:MFCD00424119
Product Description
Catalog Number:
AG019XHO
Chemical Name:
5-nitro-2-(pyridin-4-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
404896-26-0
Molecular Formula:
C13H7N3O4
Molecular Weight:
269.2124
MDL Number:
MFCD00424119
IUPAC Name:
5-nitro-2-pyridin-4-ylisoindole-1,3-dione
InChI:
InChI=1S/C13H7N3O4/c17-12-10-2-1-9(16(19)20)7-11(10)13(18)15(12)8-3-5-14-6-4-8/h1-7H
InChI Key:
KKTZNAVSDDCOPE-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccncc2)C(=O)c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.216g/mol
Monoisotopic Mass:
269.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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