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116223-59-7 | Benzene, 1-(dodecyloxy)-4-iodo-
CAS No: 116223-59-7 Catalog No: AG000BZI MDL No:
Product Description
Catalog Number:
AG000BZI
Chemical Name:
Benzene, 1-(dodecyloxy)-4-iodo-
CAS Number:
116223-59-7
Molecular Formula:
C18H29IO
Molecular Weight:
388.3267
IUPAC Name:
1-dodecoxy-4-iodobenzene
InChI:
InChI=1S/C18H29IO/c1-2-3-4-5-6-7-8-9-10-11-16-20-18-14-12-17(19)13-15-18/h12-15H,2-11,16H2,1H3
InChI Key:
HFFHDBSIODGMJM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)I
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.333g/mol
Monoisotopic Mass:
388.126g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
Literature
| Title | Journal |
|---|---|
| A convenient method for preparing rigid-core ionic liquid crystals. | Beilstein journal of organic chemistry 20090101 |
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