1-[(2-Nitrophenyl)sulfonyl]-1H-pyrrole - CAS 51144-95-7
Catalog: |
BB058643 |
Product Name: |
1-[(2-Nitrophenyl)sulfonyl]-1H-pyrrole |
CAS: |
51144-95-7 |
Synonyms: |
1-[(2-Nitrophenyl)sulfonyl]-1H-pyrrole; 1H-Pyrrole, 1-((2-nitrophenyl)sulfonyl)-; 1-((2-Nitrophenyl)sulfonyl)-1H-pyrrole; 1H-Pyrrole, 1-[(2-nitrophenyl)sulfonyl]-; 1-(2-nitrophenyl)sulfonylpyrrole |
IUPAC Name: | 1-(2-nitrophenyl)sulfonylpyrrole |
Description: | 1-[(2-Nitrophenyl)sulfonyl]-1H-pyrrole is used in the preparation of various 2- substituted N- nosylpyrroles. |
Molecular Weight: | 252.25 |
Molecular Formula: | C10H8N2O4S |
Canonical SMILES: | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N2C=CC=C2 |
InChI: | InChI=1S/C10H8N2O4S/c13-12(14)9-5-1-2-6-10(9)17(15,16)11-7-3-4-8-11/h1-8H |
InChI Key: | YTQHREXERZGIKH-UHFFFAOYSA-N |
References: | Shibata, M. et al. Tetrahedron. 71, 4495 (2015). |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.02047791 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.02047791 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 93.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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