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870007-40-2 | 4-(Tert-Butyl)-2-Ethoxy-1-Iodobenzene
CAS No: 870007-40-2 Catalog No: AG00IEB6 MDL No:MFCD28991748
Product Description
Catalog Number:
AG00IEB6
Chemical Name:
4-(Tert-Butyl)-2-Ethoxy-1-Iodobenzene
CAS Number:
870007-40-2
Molecular Formula:
C12H17IO
Molecular Weight:
304.1672
MDL Number:
MFCD28991748
IUPAC Name:
4-tert-butyl-2-ethoxy-1-iodobenzene
InChI:
InChI=1S/C12H17IO/c1-5-14-11-8-9(12(2,3)4)6-7-10(11)13/h6-8H,5H2,1-4H3
InChI Key:
GWLABQRIJQCIBU-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1I)C(C)(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.171g/mol
Monoisotopic Mass:
304.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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