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42048-11-3 | 2-Chloro-6-iodotoluene
CAS No: 42048-11-3 Catalog No: AG003B7F MDL No:MFCD00019013
Product Description
Catalog Number:
AG003B7F
Chemical Name:
2-Chloro-6-iodotoluene
CAS Number:
42048-11-3
Molecular Formula:
C7H6ClI
Molecular Weight:
252.4800
MDL Number:
MFCD00019013
IUPAC Name:
1-chloro-3-iodo-2-methylbenzene
InChI:
InChI=1S/C7H6ClI/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChI Key:
OEHHXVIJMCMYGM-UHFFFAOYSA-N
SMILES:
Cc1c(Cl)cccc1I
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.479g/mol
Monoisotopic Mass:
251.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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