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19578-68-8 | 1-(Benzyloxy)-4-iodobenzene
CAS No: 19578-68-8 Catalog No: AG003D26 MDL No:MFCD00079704
Product Description
Catalog Number:
AG003D26
Chemical Name:
1-(Benzyloxy)-4-iodobenzene
CAS Number:
19578-68-8
Molecular Formula:
C13H11IO
Molecular Weight:
310.1303
MDL Number:
MFCD00079704
IUPAC Name:
1-iodo-4-phenylmethoxybenzene
InChI:
InChI=1S/C13H11IO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
MPWFGAWFTAZWKZ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)OCc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.134g/mol
Monoisotopic Mass:
309.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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