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1909316-08-0 | 2-nitro-4-(1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide
CAS No: 1909316-08-0 Catalog No: AG01B235 MDL No:MFCD29907300
Product Description
Catalog Number:
AG01B235
Chemical Name:
2-nitro-4-(1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide
CAS Number:
1909316-08-0
Molecular Formula:
C7H6N6O4S
Molecular Weight:
270.2253
MDL Number:
MFCD29907300
IUPAC Name:
2-nitro-4-(2H-tetrazol-5-yl)benzenesulfonamide
InChI:
InChI=1S/C7H6N6O4S/c8-18(16,17)6-2-1-4(3-5(6)13(14)15)7-9-11-12-10-7/h1-3H,(H2,8,16,17)(H,9,10,11,12)
InChI Key:
PZARUYJXDSAGSU-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc(ccc1S(=O)(=O)N)c1nnn[nH]1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.223g/mol
Monoisotopic Mass:
270.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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