N-(3-Methylsulphonyl-4-nitrophenyl)piperazine - CAS 1197193-08-0
Catalog: |
BB004586 |
Product Name: |
N-(3-Methylsulphonyl-4-nitrophenyl)piperazine |
CAS: |
1197193-08-0 |
Synonyms: |
1-(3-methylsulfonyl-4-nitrophenyl)piperazine; 1-(3-methylsulfonyl-4-nitrophenyl)piperazine |
IUPAC Name: | 1-(3-methylsulfonyl-4-nitrophenyl)piperazine |
Description: | N-(3-Methylsulphonyl-4-nitrophenyl)piperazine (CAS# 1197193-08-0) is a useful research chemical. |
Molecular Weight: | 285.32 |
Molecular Formula: | C11H15N3O4S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=CC(=C1)N2CCNCC2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H15N3O4S/c1-19(17,18)11-8-9(2-3-10(11)14(15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3 |
InChI Key: | FHEOTKKERXQVSW-UHFFFAOYSA-N |
LogP: | 2.40570 |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.07832714 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.07832714 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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