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1222138-98-8 | Benzene, 1-iodo-3-[(2-phenylethoxy)methyl]-
CAS No: 1222138-98-8 Catalog No: AG0016XS MDL No:
Product Description
Catalog Number:
AG0016XS
Chemical Name:
Benzene, 1-iodo-3-[(2-phenylethoxy)methyl]-
CAS Number:
1222138-98-8
Molecular Formula:
C15H15IO
Molecular Weight:
338.1835
IUPAC Name:
1-iodo-3-(2-phenylethoxymethyl)benzene
InChI:
InChI=1S/C15H15IO/c16-15-8-4-7-14(11-15)12-17-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChI Key:
XYNVUOUMFNKCQO-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)COCCc1ccccc1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.188g/mol
Monoisotopic Mass:
338.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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