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Home > Nitro Compounds > 133088-64-9
133088-64-9 | 1H-Tetrazole, 5-(methylsulfinyl)-1-(4-nitrophenyl)-
CAS No: 133088-64-9 Catalog No: AG00148M MDL No:
Product Description
Catalog Number:
AG00148M
Chemical Name:
1H-Tetrazole, 5-(methylsulfinyl)-1-(4-nitrophenyl)-
CAS Number:
133088-64-9
Molecular Formula:
C8H7N5O3S
Molecular Weight:
253.2379
IUPAC Name:
5-methylsulfinyl-1-(4-nitrophenyl)tetrazole
InChI:
InChI=1S/C8H7N5O3S/c1-17(16)8-9-10-11-12(8)6-2-4-7(5-3-6)13(14)15/h2-5H,1H3
InChI Key:
AKJSVTHNLTXJPB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nnnc1S(=O)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.236g/mol
Monoisotopic Mass:
253.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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