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Home > Nitro Compounds > 71257-90-4
71257-90-4 | 9,10-Anthracenedione, 2-ethyl-1,5-dinitro-
CAS No: 71257-90-4 Catalog No: AG005K15 MDL No:
Product Description
Catalog Number:
AG005K15
Chemical Name:
9,10-Anthracenedione, 2-ethyl-1,5-dinitro-
CAS Number:
71257-90-4
Molecular Formula:
C16H10N2O6
Molecular Weight:
326.2604
IUPAC Name:
2-ethyl-1,5-dinitroanthracene-9,10-dione
InChI:
InChI=1S/C16H10N2O6/c1-2-8-6-7-10-13(14(8)18(23)24)16(20)9-4-3-5-11(17(21)22)12(9)15(10)19/h3-7H,2H2,1H3
InChI Key:
CNLLEIWFJXNPRE-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)c(ccc1)[N+](=O)[O-]
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.054g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.264g/mol
Monoisotopic Mass:
326.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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