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89333-95-9 | 1,2,4-Oxadiazole, 5-[(2-chloro-4,6-dinitrophenyl)thio]-3-(4-nitrophenyl)-
CAS No: 89333-95-9 Catalog No: AG003YE0 MDL No:
Product Description
Catalog Number:
AG003YE0
Chemical Name:
1,2,4-Oxadiazole, 5-[(2-chloro-4,6-dinitrophenyl)thio]-3-(4-nitrophenyl)-
CAS Number:
89333-95-9
Molecular Formula:
C14H6ClN5O7S
Molecular Weight:
423.7447
IUPAC Name:
5-(2-chloro-4,6-dinitrophenyl)sulfanyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H6ClN5O7S/c15-10-5-9(19(23)24)6-11(20(25)26)12(10)28-14-16-13(17-27-14)7-1-3-8(4-2-7)18(21)22/h1-6H
InChI Key:
XDHTXVVPYLMCRW-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1Sc1onc(n1)c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.968g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.74g/mol
Monoisotopic Mass:
422.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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