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89372-25-8 | 1H-Imidazole, 1-[2-(2-chlorophenyl)-2-methyl-1-oxobutyl]-
CAS No: 89372-25-8 Catalog No: AG003YVJ MDL No:
Product Description
Catalog Number:
AG003YVJ
Chemical Name:
1H-Imidazole, 1-[2-(2-chlorophenyl)-2-methyl-1-oxobutyl]-
CAS Number:
89372-25-8
Molecular Formula:
C14H15ClN2O
Molecular Weight:
262.7347
IUPAC Name:
2-(2-chlorophenyl)-1-imidazol-1-yl-2-methylbutan-1-one
InChI:
InChI=1S/C14H15ClN2O/c1-3-14(2,11-6-4-5-7-12(11)15)13(18)17-9-8-16-10-17/h4-10H,3H2,1-2H3
InChI Key:
VLCKWGXRCVEZCF-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1Cl)(C(=O)n1cncc1)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.737g/mol
Monoisotopic Mass:
262.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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