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Home > Nitro Compounds > 10242-30-5
10242-30-5 | Benzene, 1,3,5-trinitro-2-(2-nitrophenoxy)-
CAS No: 10242-30-5 Catalog No: AG0007F7 MDL No:
Product Description
Catalog Number:
AG0007F7
Chemical Name:
Benzene, 1,3,5-trinitro-2-(2-nitrophenoxy)-
CAS Number:
10242-30-5
Molecular Formula:
C12H6N4O9
Molecular Weight:
350.1974
IUPAC Name:
1,3,5-trinitro-2-(2-nitrophenoxy)benzene
InChI:
InChI=1S/C12H6N4O9/c17-13(18)7-5-9(15(21)22)12(10(6-7)16(23)24)25-11-4-2-1-3-8(11)14(19)20/h1-6H
InChI Key:
HPPFUKOYYNPRAT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Oc1ccccc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
525
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:
2.8
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