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163657-73-6 | Phenol, 4-(1,3-diiodopropyl)-2-methoxy-
CAS No: 163657-73-6 Catalog No: AG001UAD MDL No:
Product Description
Catalog Number:
AG001UAD
Chemical Name:
Phenol, 4-(1,3-diiodopropyl)-2-methoxy-
CAS Number:
163657-73-6
Molecular Formula:
C10H12I2O2
Molecular Weight:
418.0100
IUPAC Name:
4-(1,3-diiodopropyl)-2-methoxyphenol
InChI:
InChI=1S/C10H12I2O2/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,13H,4-5H2,1H3
InChI Key:
CACBMQJXGRIGAR-UHFFFAOYSA-N
SMILES:
ICCC(c1ccc(c(c1)OC)O)I
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.893g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.013g/mol
Monoisotopic Mass:
417.893g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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