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201734-86-3 | 1,1':3',1''-Terphenyl, 2'-iodo-2,2''-dimethoxy-
CAS No: 201734-86-3 Catalog No: AG0027SX MDL No:
Product Description
Catalog Number:
AG0027SX
Chemical Name:
1,1':3',1''-Terphenyl, 2'-iodo-2,2''-dimethoxy-
CAS Number:
201734-86-3
Molecular Formula:
C20H17IO2
Molecular Weight:
416.2522
IUPAC Name:
2-iodo-1,3-bis(2-methoxyphenyl)benzene
InChI:
InChI=1S/C20H17IO2/c1-22-18-12-5-3-8-14(18)16-10-7-11-17(20(16)21)15-9-4-6-13-19(15)23-2/h3-13H,1-2H3
InChI Key:
HVYCVAFNBSDPMP-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1cccc(c1I)c1ccccc1OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.027g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.258g/mol
Monoisotopic Mass:
416.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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