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76049-48-4 | Methanone, (5-chloro-2-iodophenyl)phenyl-
CAS No: 76049-48-4 Catalog No: AG005GGO MDL No:
Product Description
Catalog Number:
AG005GGO
Chemical Name:
Methanone, (5-chloro-2-iodophenyl)phenyl-
CAS Number:
76049-48-4
Molecular Formula:
C13H8ClIO
Molecular Weight:
342.5595
IUPAC Name:
(5-chloro-2-iodophenyl)-phenylmethanone
InChI:
InChI=1S/C13H8ClIO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChI Key:
AQDOLAWKRIYYAT-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)c1ccccc1)I
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.931g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.56g/mol
Monoisotopic Mass:
341.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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