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85572-20-9 | Benzenesulfonamide, 4-nitro-N-nitroso-N-(trifluoromethyl)-
CAS No: 85572-20-9 Catalog No: AG004UF8 MDL No:
Product Description
Catalog Number:
AG004UF8
Chemical Name:
Benzenesulfonamide, 4-nitro-N-nitroso-N-(trifluoromethyl)-
CAS Number:
85572-20-9
Molecular Formula:
C7H4F3N3O5S
Molecular Weight:
299.1840
IUPAC Name:
4-nitro-N-nitroso-N-(trifluoromethyl)benzenesulfonamide
InChI:
InChI=1S/C7H4F3N3O5S/c8-7(9,10)13(11-14)19(17,18)6-3-1-5(2-4-6)12(15)16/h1-4H
InChI Key:
PIVTYLHUUOGDTL-UHFFFAOYSA-N
SMILES:
O=NN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.982g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.18g/mol
Monoisotopic Mass:
298.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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