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168912-62-7 | Phenol, 3-(2-iodoethyl)-
CAS No: 168912-62-7 Catalog No: AG001YDC MDL No:
Product Description
Catalog Number:
AG001YDC
Chemical Name:
Phenol, 3-(2-iodoethyl)-
CAS Number:
168912-62-7
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
IUPAC Name:
3-(2-iodoethyl)phenol
InChI:
InChI=1S/C8H9IO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5H2
InChI Key:
FPCLFJWXZKQPBT-UHFFFAOYSA-N
SMILES:
ICCc1cccc(c1)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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