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89372-39-4 | 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-methyl-1-oxooctyl]-
CAS No: 89372-39-4 Catalog No: AG003YVE MDL No:
Product Description
Catalog Number:
AG003YVE
Chemical Name:
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-methyl-1-oxooctyl]-
CAS Number:
89372-39-4
Molecular Formula:
C18H22Cl2N2O
Molecular Weight:
353.2861
IUPAC Name:
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methyloctan-1-one
InChI:
InChI=1S/C18H22Cl2N2O/c1-3-4-5-6-9-18(2,17(23)22-11-10-21-13-22)15-8-7-14(19)12-16(15)20/h7-8,10-13H,3-6,9H2,1-2H3
InChI Key:
YQJDUAGOMMKERK-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1ccc(cc1Cl)Cl)(C(=O)n1cncc1)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.287g/mol
Monoisotopic Mass:
352.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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