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60803-25-0 | 2-tert-butyl-4-iodophenol
CAS No: 60803-25-0 Catalog No: AG00EJS1 MDL No:MFCD16996826
Product Description
Catalog Number:
AG00EJS1
Chemical Name:
2-tert-butyl-4-iodophenol
CAS Number:
60803-25-0
Molecular Formula:
C10H13IO
Molecular Weight:
276.1141
MDL Number:
MFCD16996826
IUPAC Name:
2-tert-butyl-4-iodophenol
InChI:
InChI=1S/C10H13IO/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,12H,1-3H3
InChI Key:
RIKUIHNAPBRUOR-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(C)(C)C)O
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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