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110762-61-3 | Benzene, [[(6-iodo-3-methylhexyl)oxy]methyl]-
CAS No: 110762-61-3 Catalog No: AG007U6A MDL No:
Product Description
Catalog Number:
AG007U6A
Chemical Name:
Benzene, [[(6-iodo-3-methylhexyl)oxy]methyl]-
CAS Number:
110762-61-3
Molecular Formula:
C14H21IO
Molecular Weight:
332.2204
IUPAC Name:
(6-iodo-3-methylhexoxy)methylbenzene
InChI:
InChI=1S/C14H21IO/c1-13(6-5-10-15)9-11-16-12-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChI Key:
UTUUUMFXXAHLEF-UHFFFAOYSA-N
SMILES:
ICCCC(CCOCc1ccccc1)C
Properties
Complexity:
155
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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