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113722-82-0

113722-82-0 | Benzene, 2-[4-(4-chlorophenyl)-2-methylbutyl]-1-iodo-4-methoxy-

CAS No: 113722-82-0 Catalog No: AG0009G8 MDL No:

Product Description

Catalog Number:
AG0009G8
Chemical Name:
Benzene, 2-[4-(4-chlorophenyl)-2-methylbutyl]-1-iodo-4-methoxy-
CAS Number:
113722-82-0
Molecular Formula:
C18H20ClIO
Molecular Weight:
414.7083
IUPAC Name:
2-[4-(4-chlorophenyl)-2-methylbutyl]-1-iodo-4-methoxybenzene
InChI:
InChI=1S/C18H20ClIO/c1-13(3-4-14-5-7-16(19)8-6-14)11-15-12-17(21-2)9-10-18(15)20/h5-10,12-13H,3-4,11H2,1-2H3
InChI Key:
PMZHFQGHSGJHPE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CC(CCc1ccc(cc1)Cl)C)I

Properties

Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.025g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.711g/mol
Monoisotopic Mass:
414.025g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7  

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