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Home > Nitro Compounds > 66121-37-7

66121-37-7

66121-37-7 | 9,10-Anthracenedione, 1,4-dinitro-

CAS No: 66121-37-7 Catalog No: AG00H834 MDL No:

Product Description

Catalog Number:
AG00H834
Chemical Name:
9,10-Anthracenedione, 1,4-dinitro-
CAS Number:
66121-37-7
Molecular Formula:
C14H6N2O6
Molecular Weight:
298.2072
IUPAC Name:
1,4-dinitroanthracene-9,10-dione
InChI:
InChI=1S/C14H6N2O6/c17-13-7-3-1-2-4-8(7)14(18)12-10(16(21)22)6-5-9(11(12)13)15(19)20/h1-6H
InChI Key:
NFVNRGFLTLZBTH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1C(=O)c1ccccc1C2=O)[N+](=O)[O-]

Properties

Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.023g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.21g/mol
Monoisotopic Mass:
298.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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