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Home > Fluorides > 951888-45-2
951888-45-2 | 2-Iodo-3',4',5'-trifluorobenzophenone
CAS No: 951888-45-2 Catalog No: AG01EZS6 MDL No:
Product Description
Catalog Number:
AG01EZS6
Chemical Name:
2-Iodo-3',4',5'-trifluorobenzophenone
CAS Number:
951888-45-2
Molecular Formula:
C13H6F3IO
Molecular Weight:
362.0858
IUPAC Name:
(2-iodophenyl)-(3,4,5-trifluorophenyl)methanone
InChI:
InChI=1S/C13H6F3IO/c14-9-5-7(6-10(15)12(9)16)13(18)8-3-1-2-4-11(8)17/h1-6H
InChI Key:
DAJZKYIEMMEQAQ-UHFFFAOYSA-N
SMILES:
Ic1ccccc1C(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.942g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.09g/mol
Monoisotopic Mass:
361.942g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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