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156878-64-7 | Phenol, 3-ethyl-4-iodo-
CAS No: 156878-64-7 Catalog No: AG001P21 MDL No:
Product Description
Catalog Number:
AG001P21
Chemical Name:
Phenol, 3-ethyl-4-iodo-
CAS Number:
156878-64-7
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
IUPAC Name:
3-ethyl-4-iodophenol
InChI:
InChI=1S/C8H9IO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3
InChI Key:
WCNJZXNVVBMBJW-UHFFFAOYSA-N
SMILES:
CCc1cc(O)ccc1I
Properties
Complexity:
105
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:
1
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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