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6136-66-9 | 4-IODOBENZOPHENONE
CAS No: 6136-66-9 Catalog No: AG00ED3M MDL No:MFCD00270109
Product Description
Catalog Number:
AG00ED3M
Chemical Name:
4-IODOBENZOPHENONE
CAS Number:
6136-66-9
Molecular Formula:
C13H9IO
Molecular Weight:
308.1144
MDL Number:
MFCD00270109
IUPAC Name:
(4-iodophenyl)-phenylmethanone
InChI:
InChI=1S/C13H9IO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChI Key:
OCAJMURFVZWFPX-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.118g/mol
Monoisotopic Mass:
307.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| A flow-microreactor approach to protecting-group-free synthesis using organolithium compounds. | Nature communications 20110101 |
| Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. | Journal of medicinal chemistry 20090813 |
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