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89372-03-2 | 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-methyl-1-oxopentyl]-
CAS No: 89372-03-2 Catalog No: AG003XKJ MDL No:
Product Description
Catalog Number:
AG003XKJ
Chemical Name:
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-methyl-1-oxopentyl]-
CAS Number:
89372-03-2
Molecular Formula:
C15H16Cl2N2O
Molecular Weight:
311.2063
IUPAC Name:
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpentan-1-one
InChI:
InChI=1S/C15H16Cl2N2O/c1-3-6-15(2,14(20)19-8-7-18-10-19)12-5-4-11(16)9-13(12)17/h4-5,7-10H,3,6H2,1-2H3
InChI Key:
WLUZUUSRFYKTIY-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(cc1Cl)Cl)(C(=O)n1cncc1)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.206g/mol
Monoisotopic Mass:
310.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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