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6631-69-2 | 4-(2-iodoethyl)phenol
CAS No: 6631-69-2 Catalog No: AG006NIY MDL No:
Product Description
Catalog Number:
AG006NIY
Chemical Name:
4-(2-iodoethyl)phenol
CAS Number:
6631-69-2
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
IUPAC Name:
4-(2-iodoethyl)phenol
InChI:
InChI=1S/C8H9IO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2
InChI Key:
OGMCDNXCHXQKHO-UHFFFAOYSA-N
SMILES:
ICCc1ccc(cc1)O
NSC Number:
57917
Properties
Complexity:
87.3
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:
3.4
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