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Home > Nitro Compounds > 13750-36-2
13750-36-2 | 1,2-Ethanedione, 1,2-bis(2,4-dinitrophenyl)-
CAS No: 13750-36-2 Catalog No: AG0013DW MDL No:
Product Description
Catalog Number:
AG0013DW
Chemical Name:
1,2-Ethanedione, 1,2-bis(2,4-dinitrophenyl)-
CAS Number:
13750-36-2
Molecular Formula:
C14H6N4O10
Molecular Weight:
390.2182
IUPAC Name:
1,2-bis(2,4-dinitrophenyl)ethane-1,2-dione
InChI:
InChI=1S/C14H6N4O10/c19-13(9-3-1-7(15(21)22)5-11(9)17(25)26)14(20)10-4-2-8(16(23)24)6-12(10)18(27)28/h1-6H
InChI Key:
YWLJLOLSGKXVKE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
1060
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.008g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.22g/mol
Monoisotopic Mass:
390.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
217A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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