3-(3,4-Dichlorophenyl)piperazin-2-one - CAS 334477-10-0
Catalog: |
BB021716 |
Product Name: |
3-(3,4-Dichlorophenyl)piperazin-2-one |
CAS: |
334477-10-0 |
Synonyms: |
3-(3,4-dichlorophenyl)-2-piperazinone; 3-(3,4-dichlorophenyl)piperazin-2-one |
IUPAC Name: | 3-(3,4-dichlorophenyl)piperazin-2-one |
Description: | 3-(3,4-Dichlorophenyl)piperazin-2-one (CAS# 334477-10-0 ) is a useful research chemical. |
Molecular Weight: | 245.11 |
Molecular Formula: | C10H10Cl2N2O |
Canonical SMILES: | C1CNC(=O)C(N1)C2=CC(=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C10H10Cl2N2O/c11-7-2-1-6(5-8(7)12)9-10(15)14-4-3-13-9/h1-2,5,9,13H,3-4H2,(H,14,15) |
InChI Key: | PYBLTGJGVAFJCT-UHFFFAOYSA-N |
LogP: | 2.35860 |
Publication Number | Title | Priority Date |
US-2007249589-A1 | Novel diazepan derivatives | 20060420 |
US-7632829-B2 | Diazepan derivatives | 20060420 |
AU-2004201361-A1 | Piperazine compounds | 19991007 |
AU-2004201361-B2 | Piperazine compounds | 19991007 |
AU-768780-B2 | Piperazine compounds | 19991007 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.0170183 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.0170183 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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