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Home > Nitro Compounds > 17691-66-6
17691-66-6 | Benzene, 1,3,5-trimethyl-2-(2,4,6-trinitrophenoxy)-
CAS No: 17691-66-6 Catalog No: AG0024ZT MDL No:
Product Description
Catalog Number:
AG0024ZT
Chemical Name:
Benzene, 1,3,5-trimethyl-2-(2,4,6-trinitrophenoxy)-
CAS Number:
17691-66-6
Molecular Formula:
C15H13N3O7
Molecular Weight:
347.2796
IUPAC Name:
1,3,5-trimethyl-2-(2,4,6-trinitrophenoxy)benzene
InChI:
InChI=1S/C15H13N3O7/c1-8-4-9(2)14(10(3)5-8)25-15-12(17(21)22)6-11(16(19)20)7-13(15)18(23)24/h4-7H,1-3H3
InChI Key:
AMPPQYPXOGUUAO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.075g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.283g/mol
Monoisotopic Mass:
347.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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