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113452-82-7

113452-82-7 | Benzene, 1-(2-chloro-1-methylethyl)-2-iodo-

CAS No: 113452-82-7 Catalog No: AG0008NK MDL No:

Product Description

Catalog Number:
AG0008NK
Chemical Name:
Benzene, 1-(2-chloro-1-methylethyl)-2-iodo-
CAS Number:
113452-82-7
Molecular Formula:
C9H10ClI
Molecular Weight:
280.5332
IUPAC Name:
1-(1-chloropropan-2-yl)-2-iodobenzene
InChI:
InChI=1S/C9H10ClI/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3
InChI Key:
VKOWZINVXYUQTK-UHFFFAOYSA-N
SMILES:
ClCC(c1ccccc1I)C

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.952g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.533g/mol
Monoisotopic Mass:
279.952g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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