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Home > Nitro Compounds > 132764-29-5
132764-29-5 | 1H-Tetrazole, 5-[(2,4-dinitrophenyl)thio]-1-phenyl-
CAS No: 132764-29-5 Catalog No: AG001149 MDL No:
Product Description
Catalog Number:
AG001149
Chemical Name:
1H-Tetrazole, 5-[(2,4-dinitrophenyl)thio]-1-phenyl-
CAS Number:
132764-29-5
Molecular Formula:
C13H8N6O4S
Molecular Weight:
344.3054
IUPAC Name:
5-(2,4-dinitrophenyl)sulfanyl-1-phenyltetrazole
InChI:
InChI=1S/C13H8N6O4S/c20-18(21)10-6-7-12(11(8-10)19(22)23)24-13-14-15-16-17(13)9-4-2-1-3-5-9/h1-8H
InChI Key:
UUJAPKSKOVJHSZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1nnnn1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.033g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.305g/mol
Monoisotopic Mass:
344.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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