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Home > Nitro Compounds > 128080-58-0
128080-58-0 | 1-[(4-methylbenzene)sulfonyl]-2-nitro-1H-pyrrole
CAS No: 128080-58-0 Catalog No: AG00HRRH MDL No:
Product Description
Catalog Number:
AG00HRRH
Chemical Name:
1-[(4-methylbenzene)sulfonyl]-2-nitro-1H-pyrrole
CAS Number:
128080-58-0
IUPAC Name:
1-(4-methylphenyl)sulfonyl-2-nitropyrrole
InChI:
InChI=1S/C11H10N2O4S/c1-9-4-6-10(7-5-9)18(16,17)12-8-2-3-11(12)13(14)15/h2-8H,1H3
InChI Key:
DYDHHXIHVGYNKP-UHFFFAOYSA-N
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.271g/mol
Monoisotopic Mass:
266.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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