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Home > Nitro Compounds > 133253-56-2
133253-56-2 | 1,2-Ethanedione, 1,2-bis(2-nitrophenyl)-
CAS No: 133253-56-2 Catalog No: AG0014GW MDL No:
Product Description
Catalog Number:
AG0014GW
Chemical Name:
1,2-Ethanedione, 1,2-bis(2-nitrophenyl)-
CAS Number:
133253-56-2
Molecular Formula:
C14H8N2O6
Molecular Weight:
300.2231
IUPAC Name:
1,2-bis(2-nitrophenyl)ethane-1,2-dione
InChI:
InChI=1S/C14H8N2O6/c17-13(9-5-1-3-7-11(9)15(19)20)14(18)10-6-2-4-8-12(10)16(21)22/h1-8H
InChI Key:
OEDVZNBKDFPNOT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.038g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.226g/mol
Monoisotopic Mass:
300.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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