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Home > Nitro Compounds > 833479-71-3
833479-71-3 | 1,3(2H,4H)-Isoquinolinedione, 4-(ethoxymethylene)-2-(4-nitrophenyl)-
CAS No: 833479-71-3 Catalog No: AG004W84 MDL No:
Product Description
Catalog Number:
AG004W84
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 4-(ethoxymethylene)-2-(4-nitrophenyl)-
CAS Number:
833479-71-3
Molecular Formula:
C18H14N2O5
Molecular Weight:
338.3142
IUPAC Name:
4-(ethoxymethylidene)-2-(4-nitrophenyl)isoquinoline-1,3-dione
InChI:
InChI=1S/C18H14N2O5/c1-2-25-11-16-14-5-3-4-6-15(14)17(21)19(18(16)22)12-7-9-13(10-8-12)20(23)24/h3-11H,2H2,1H3
InChI Key:
DTXNIDYFYTZVEY-UHFFFAOYSA-N
SMILES:
CCOC=C1C(=O)N(c2ccc(cc2)[N+](=O)[O-])C(=O)c2c1cccc2
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.319g/mol
Monoisotopic Mass:
338.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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