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85557-94-4 | Benzene, 1-(hexyloxy)-4-iodo-
CAS No: 85557-94-4 Catalog No: AG004UH7 MDL No:
Product Description
Catalog Number:
AG004UH7
Chemical Name:
Benzene, 1-(hexyloxy)-4-iodo-
CAS Number:
85557-94-4
Molecular Formula:
C12H17IO
Molecular Weight:
304.1673
IUPAC Name:
1-hexoxy-4-iodobenzene
InChI:
InChI=1S/C12H17IO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10H2,1H3
InChI Key:
LGBIFIGDFFVXIW-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)I
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.171g/mol
Monoisotopic Mass:
304.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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