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89372-81-6 | 1H-Imidazole, 1-[2-[(4-chlorophenyl)methyl]-4,4-dimethyl-1-oxopentyl]-
CAS No: 89372-81-6 Catalog No: AG003XBK MDL No:
Product Description
Catalog Number:
AG003XBK
Chemical Name:
1H-Imidazole, 1-[2-[(4-chlorophenyl)methyl]-4,4-dimethyl-1-oxopentyl]-
CAS Number:
89372-81-6
Molecular Formula:
C17H21ClN2O
Molecular Weight:
304.8144
IUPAC Name:
2-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4,4-dimethylpentan-1-one
InChI:
InChI=1S/C17H21ClN2O/c1-17(2,3)11-14(16(21)20-9-8-19-12-20)10-13-4-6-15(18)7-5-13/h4-9,12,14H,10-11H2,1-3H3
InChI Key:
WBGVOTQEBVMIOQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CC(C(=O)n1cncc1)CC(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.134g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.818g/mol
Monoisotopic Mass:
304.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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