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872834-99-6 | 1-Butanone, 1-cyclopentyl-4-(2-iodophenyl)-
CAS No: 872834-99-6 Catalog No: AG004HZ7 MDL No:
Product Description
Catalog Number:
AG004HZ7
Chemical Name:
1-Butanone, 1-cyclopentyl-4-(2-iodophenyl)-
CAS Number:
872834-99-6
Molecular Formula:
C15H19IO
Molecular Weight:
342.2152
IUPAC Name:
1-cyclopentyl-4-(2-iodophenyl)butan-1-one
InChI:
InChI=1S/C15H19IO/c16-14-10-4-3-6-12(14)9-5-11-15(17)13-7-1-2-8-13/h3-4,6,10,13H,1-2,5,7-9,11H2
InChI Key:
XNKKCAGCEYPVJX-UHFFFAOYSA-N
SMILES:
O=C(C1CCCC1)CCCc1ccccc1I
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.22g/mol
Monoisotopic Mass:
342.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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