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140428-71-3 | Ethanone, 2-chloro-1-(3-methyl-3-phenylcyclobutyl)-
CAS No: 140428-71-3 Catalog No: AG001CES MDL No:
Product Description
Catalog Number:
AG001CES
Chemical Name:
Ethanone, 2-chloro-1-(3-methyl-3-phenylcyclobutyl)-
CAS Number:
140428-71-3
Molecular Formula:
C13H15ClO
Molecular Weight:
222.7106
IUPAC Name:
2-chloro-1-(3-methyl-3-phenylcyclobutyl)ethanone
InChI:
InChI=1S/C13H15ClO/c1-13(11-5-3-2-4-6-11)7-10(8-13)12(15)9-14/h2-6,10H,7-9H2,1H3
InChI Key:
HEQFYLNFEYQNMB-UHFFFAOYSA-N
SMILES:
ClCC(=O)C1CC(C1)(C)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.712g/mol
Monoisotopic Mass:
222.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of some novel derivatives of benzofuran: part 1. Synthesis and antimicrobial activity of (benzofuran-2-yl)(3-phenyl-3-methylcyclobutyl) ketoxime derivatives. | European journal of medicinal chemistry 20051201 |
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