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Home > Nitro Compounds > 133088-71-8
133088-71-8 | 1H-Tetrazole, 5-(methylsulfonyl)-1-[(4-nitrophenyl)methyl]-
CAS No: 133088-71-8 Catalog No: AG00148L MDL No:
Product Description
Catalog Number:
AG00148L
Chemical Name:
1H-Tetrazole, 5-(methylsulfonyl)-1-[(4-nitrophenyl)methyl]-
CAS Number:
133088-71-8
Molecular Formula:
C9H9N5O4S
Molecular Weight:
283.2639
IUPAC Name:
5-methylsulfonyl-1-[(4-nitrophenyl)methyl]tetrazole
InChI:
InChI=1S/C9H9N5O4S/c1-19(17,18)9-10-11-12-13(9)6-7-2-4-8(5-3-7)14(15)16/h2-5H,6H2,1H3
InChI Key:
MMJQNWICHDGNRC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cn1nnnc1S(=O)(=O)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.262g/mol
Monoisotopic Mass:
283.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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