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114971-53-8 | Phenol, 4-iodo-2,5-dimethyl-
CAS No: 114971-53-8 Catalog No: AG000FIR MDL No:MFCD00219922
Product Description
Catalog Number:
AG000FIR
Chemical Name:
Phenol, 4-iodo-2,5-dimethyl-
CAS Number:
114971-53-8
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
MDL Number:
MFCD00219922
IUPAC Name:
4-iodo-2,5-dimethylphenol
InChI:
InChI=1S/C8H9IO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
InChI Key:
RFAXNKKOQUYDKE-UHFFFAOYSA-N
SMILES:
Cc1cc(I)c(cc1O)C
Properties
Complexity:
116
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:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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