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2974-94-9 | Benzene, 1-iodo-4-phenoxy-
CAS No: 2974-94-9 Catalog No: AG002Z9U MDL No:MFCD00060666
Product Description
Catalog Number:
AG002Z9U
Chemical Name:
Benzene, 1-iodo-4-phenoxy-
CAS Number:
2974-94-9
Molecular Formula:
C12H9IO
Molecular Weight:
296.1037
MDL Number:
MFCD00060666
IUPAC Name:
1-iodo-4-phenoxybenzene
InChI:
InChI=1S/C12H9IO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChI Key:
BDKOUDYNKRCDEC-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)Oc1ccccc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.97g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.107g/mol
Monoisotopic Mass:
295.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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