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Home > Nitro Compounds > 83907-65-7
83907-65-7 | 1,3(2H,4H)-Isoquinolinedione, 2-(4-nitrophenyl)-
CAS No: 83907-65-7 Catalog No: AG004V8O MDL No:
Product Description
Catalog Number:
AG004V8O
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-(4-nitrophenyl)-
CAS Number:
83907-65-7
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
IUPAC Name:
2-(4-nitrophenyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C15H10N2O4/c18-14-9-10-3-1-2-4-13(10)15(19)16(14)11-5-7-12(8-6-11)17(20)21/h1-8H,9H2
InChI Key:
SXGLTZQCRMQKFQ-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C(=O)N1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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