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89372-00-9 | 1-(1h-imidazol-1-yl)-2-(4-iodobenzyl)-3,3-dimethylbutan-1-one
CAS No: 89372-00-9 Catalog No: AG003YVS MDL No:
Product Description
Catalog Number:
AG003YVS
Chemical Name:
1-(1h-imidazol-1-yl)-2-(4-iodobenzyl)-3,3-dimethylbutan-1-one
CAS Number:
89372-00-9
Molecular Formula:
C16H19IN2O
Molecular Weight:
382.2393
IUPAC Name:
1-imidazol-1-yl-2-[(4-iodophenyl)methyl]-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C16H19IN2O/c1-16(2,3)14(15(20)19-9-8-18-11-19)10-12-4-6-13(17)7-5-12/h4-9,11,14H,10H2,1-3H3
InChI Key:
MXYXXFBJGIDQRD-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.245g/mol
Monoisotopic Mass:
382.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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