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Home > Nitro Compounds > 190123-10-5
190123-10-5 | 2H-Tetrazole, 5-[[2-(4-nitrophenyl)-2-propen-1-yl]thio]-2-phenyl-
CAS No: 190123-10-5 Catalog No: AG002EBS MDL No:
Product Description
Catalog Number:
AG002EBS
Chemical Name:
2H-Tetrazole, 5-[[2-(4-nitrophenyl)-2-propen-1-yl]thio]-2-phenyl-
CAS Number:
190123-10-5
Molecular Formula:
C16H13N5O2S
Molecular Weight:
339.3717
IUPAC Name:
5-[2-(4-nitrophenyl)prop-2-enylsulfanyl]-2-phenyltetrazole
InChI:
InChI=1S/C16H13N5O2S/c1-12(13-7-9-15(10-8-13)21(22)23)11-24-16-17-19-20(18-16)14-5-3-2-4-6-14/h2-10H,1,11H2
InChI Key:
VRXKKEOXDCAOAA-UHFFFAOYSA-N
SMILES:
C=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnn(n1)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.373g/mol
Monoisotopic Mass:
339.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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