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864684-78-6 | 1-(2,2-DIMETHOXY-ETHYLSULFANYL)-4-IODO-BENZENE
CAS No: 864684-78-6 Catalog No: AG004WL3 MDL No:
Product Description
Catalog Number:
AG004WL3
Chemical Name:
1-(2,2-DIMETHOXY-ETHYLSULFANYL)-4-IODO-BENZENE
CAS Number:
864684-78-6
Molecular Formula:
C10H13IO2S
Molecular Weight:
324.1785
IUPAC Name:
1-(2,2-dimethoxyethylsulfanyl)-4-iodobenzene
InChI:
InChI=1S/C10H13IO2S/c1-12-10(13-2)7-14-9-5-3-8(11)4-6-9/h3-6,10H,7H2,1-2H3
InChI Key:
DSKKURRDQNPUKN-UHFFFAOYSA-N
SMILES:
COC(CSc1ccc(cc1)I)OC
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.968g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.176g/mol
Monoisotopic Mass:
323.968g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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