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99858-37-4 | Benzene, (5-iodopentyl)-
CAS No: 99858-37-4 Catalog No: AG004X7C MDL No:
Product Description
Catalog Number:
AG004X7C
Chemical Name:
Benzene, (5-iodopentyl)-
CAS Number:
99858-37-4
Molecular Formula:
C11H15I
Molecular Weight:
274.1413
IUPAC Name:
5-iodopentylbenzene
InChI:
InChI=1S/C11H15I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChI Key:
QVQYOJLZAUEILK-UHFFFAOYSA-N
SMILES:
ICCCCCc1ccccc1
Properties
Complexity:
95.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.145g/mol
Monoisotopic Mass:
274.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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