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823180-39-8 | Pentane, 1,1-diiodo-5-(2-methoxyethoxy)-
CAS No: 823180-39-8 Catalog No: AG00552N MDL No:
Product Description
Catalog Number:
AG00552N
Chemical Name:
Pentane, 1,1-diiodo-5-(2-methoxyethoxy)-
CAS Number:
823180-39-8
Molecular Formula:
C8H16I2O2
Molecular Weight:
398.0204
IUPAC Name:
1,1-diiodo-5-(2-methoxyethoxy)pentane
InChI:
InChI=1S/C8H16I2O2/c1-11-6-7-12-5-3-2-4-8(9)10/h8H,2-7H2,1H3
InChI Key:
DJMQZSKJLWWNSH-UHFFFAOYSA-N
SMILES:
COCCOCCCCC(I)I
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.023g/mol
Monoisotopic Mass:
397.924g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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