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861349-18-0 | 2-Ethoxy-3-iodotoluene
CAS No: 861349-18-0 Catalog No: AG01EXVK MDL No:MFCD12547888
Product Description
Catalog Number:
AG01EXVK
Chemical Name:
2-Ethoxy-3-iodotoluene
CAS Number:
861349-18-0
Molecular Formula:
C9H11IO
Molecular Weight:
262.0875
MDL Number:
MFCD12547888
IUPAC Name:
2-ethoxy-1-iodo-3-methylbenzene
InChI:
InChI=1S/C9H11IO/c1-3-11-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3
InChI Key:
XYRHWYPFDUFTHT-UHFFFAOYSA-N
SMILES:
CCOc1c(C)cccc1I
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.09g/mol
Monoisotopic Mass:
261.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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