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Home > Nitro Compounds > 10242-31-6
10242-31-6 | Benzene, 1,3,5-trinitro-2-(4-nitrophenoxy)-
CAS No: 10242-31-6 Catalog No: AG0007F6 MDL No:
Product Description
Catalog Number:
AG0007F6
Chemical Name:
Benzene, 1,3,5-trinitro-2-(4-nitrophenoxy)-
CAS Number:
10242-31-6
Molecular Formula:
C12H6N4O9
Molecular Weight:
350.1974
IUPAC Name:
1,3,5-trinitro-2-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C12H6N4O9/c17-13(18)7-1-3-9(4-2-7)25-12-10(15(21)22)5-8(14(19)20)6-11(12)16(23)24/h1-6H
InChI Key:
FVMZZFXJYIQEKS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Oc1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
52576
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.013g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.199g/mol
Monoisotopic Mass:
350.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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