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29052-00-4 | 3-IODOPHENETOLE
CAS No: 29052-00-4 Catalog No: AG00BFK9 MDL No:MFCD00673013
Product Description
Catalog Number:
AG00BFK9
Chemical Name:
3-IODOPHENETOLE
CAS Number:
29052-00-4
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
MDL Number:
MFCD00673013
IUPAC Name:
1-ethoxy-3-iodobenzene
InChI:
InChI=1S/C8H9IO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
InChI Key:
UIGQMEPFSWIPHM-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)I
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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