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1017608-22-8 | 3-(tert-butyl)-4-iodophenol
CAS No: 1017608-22-8 Catalog No: AG01BS6I MDL No:MFCD15527203
Product Description
Catalog Number:
AG01BS6I
Chemical Name:
3-(tert-butyl)-4-iodophenol
CAS Number:
1017608-22-8
Molecular Formula:
C10H13IO
Molecular Weight:
276.1141
MDL Number:
MFCD15527203
IUPAC Name:
3-tert-butyl-4-iodophenol
InChI:
InChI=1S/C10H13IO/c1-10(2,3)8-6-7(12)4-5-9(8)11/h4-6,12H,1-3H3
InChI Key:
UDBISCXKNIRQFB-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(C)(C)C)I
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.117g/mol
Monoisotopic Mass:
276.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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