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67987-28-4 | 10-(PARA-IODOPHENYL)-1-UNDECANOL
CAS No: 67987-28-4 Catalog No: AG005OEB MDL No:
Product Description
Catalog Number:
AG005OEB
Chemical Name:
10-(PARA-IODOPHENYL)-1-UNDECANOL
CAS Number:
67987-28-4
Molecular Formula:
C17H27IO
Molecular Weight:
374.3001
IUPAC Name:
10-(4-iodophenyl)undecan-1-ol
InChI:
InChI=1S/C17H27IO/c1-15(16-10-12-17(18)13-11-16)9-7-5-3-2-4-6-8-14-19/h10-13,15,19H,2-9,14H2,1H3
InChI Key:
ZJLWUXUOKNWNPC-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCC(c1ccc(cc1)I)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.306g/mol
Monoisotopic Mass:
374.111g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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