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Home > Nitro Compounds > 14576-21-7
14576-21-7 | 1,3(2H,4H)-Isoquinolinedione, 4,4-dimethyl-7-nitro-
CAS No: 14576-21-7 Catalog No: AG001DE3 MDL No:
Product Description
Catalog Number:
AG001DE3
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 4,4-dimethyl-7-nitro-
CAS Number:
14576-21-7
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
4,4-dimethyl-7-nitroisoquinoline-1,3-dione
InChI:
InChI=1S/C11H10N2O4/c1-11(2)8-4-3-6(13(16)17)5-7(8)9(14)12-10(11)15/h3-5H,1-2H3,(H,12,14,15)
InChI Key:
IJRTYXJAHMLEJN-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c(C1(C)C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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