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7191-46-0

7191-46-0 | 1-(2-HYDROXY-3,5-DIIODOPHENYL)ETHAN-1-ONE

CAS No: 7191-46-0 Catalog No: AG0061G9 MDL No:MFCD06668810

Product Description

Catalog Number:
AG0061G9
Chemical Name:
1-(2-HYDROXY-3,5-DIIODOPHENYL)ETHAN-1-ONE
CAS Number:
7191-46-0
Molecular Formula:
C8H6I2O2
Molecular Weight:
387.9410
MDL Number:
MFCD06668810
IUPAC Name:
1-(2-hydroxy-3,5-diiodophenyl)ethanone
InChI:
InChI=1S/C8H6I2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChI Key:
WFFXKQMPZIZNOI-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c(c(c1)C(=O)C)O
EC Number:
230-557-7
NSC Number:
83970

Properties

Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.846g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
387.943g/mol
Monoisotopic Mass:
387.846g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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