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96693-06-0 | Benzene, 1-iodo-4-(octyloxy)-
CAS No: 96693-06-0 Catalog No: AG0066E7 MDL No:
Product Description
Catalog Number:
AG0066E7
Chemical Name:
Benzene, 1-iodo-4-(octyloxy)-
CAS Number:
96693-06-0
Molecular Formula:
C14H21IO
Molecular Weight:
332.2204
IUPAC Name:
1-iodo-4-octoxybenzene
InChI:
InChI=1S/C14H21IO/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11H,2-7,12H2,1H3
InChI Key:
FUDNZJMEPQATIH-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)I
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.225g/mol
Monoisotopic Mass:
332.064g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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