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89264-24-4 | Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-3-nitro-
CAS No: 89264-24-4 Catalog No: AG0041GM MDL No:
Product Description
Catalog Number:
AG0041GM
Chemical Name:
Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-3-nitro-
CAS Number:
89264-24-4
Molecular Formula:
C16H13Cl3N2O6
Molecular Weight:
435.6432
IUPAC Name:
1-methoxy-2-nitro-4-[2,2,2-trichloro-1-(4-methoxy-3-nitrophenyl)ethyl]benzene
InChI:
InChI=1S/C16H13Cl3N2O6/c1-26-13-5-3-9(7-11(13)20(22)23)15(16(17,18)19)10-4-6-14(27-2)12(8-10)21(24)25/h3-8,15H,1-2H3
InChI Key:
UETZXNRPANTCPZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C(C(Cl)(Cl)Cl)c1ccc(c(c1)[N+](=O)[O-])OC
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.984g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.638g/mol
Monoisotopic Mass:
433.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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