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Home > Nitro Compounds > 88145-15-7
88145-15-7 | 1h-benz(de)isoquinoline-1,3(2h)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-
CAS No: 88145-15-7 Catalog No: AG004GCW MDL No:
Product Description
Catalog Number:
AG004GCW
Chemical Name:
1h-benz(de)isoquinoline-1,3(2h)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-
CAS Number:
88145-15-7
Molecular Formula:
C18H17N3O4
Molecular Weight:
339.3453
IUPAC Name:
6-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C18H17N3O4/c22-17-13-5-3-4-12-15(21(24)25)7-6-14(16(12)13)18(23)20(17)11-10-19-8-1-2-9-19/h3-7H,1-2,8-11H2
InChI Key:
HGPWMFQARAISAD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1cccc3c(=O)n(c2=O)CCN1CCCC1
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.351g/mol
Monoisotopic Mass:
339.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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