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923595-07-7 | Benzene, 1-(2,2-dimethoxy-2-phenylethoxy)-2-iodo-4-methyl-
CAS No: 923595-07-7 Catalog No: AG006JCQ MDL No:
Product Description
Catalog Number:
AG006JCQ
Chemical Name:
Benzene, 1-(2,2-dimethoxy-2-phenylethoxy)-2-iodo-4-methyl-
CAS Number:
923595-07-7
Molecular Formula:
C17H19IO3
Molecular Weight:
398.2354
IUPAC Name:
1-(2,2-dimethoxy-2-phenylethoxy)-2-iodo-4-methylbenzene
InChI:
InChI=1S/C17H19IO3/c1-13-9-10-16(15(18)11-13)21-12-17(19-2,20-3)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChI Key:
LRWISDXYGDTWPB-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)(COc1ccc(cc1I)C)OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.24g/mol
Monoisotopic Mass:
398.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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