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90064-49-6 | 2-Propanone, 1-(4-iodo-2,5-dimethoxyphenyl)-
CAS No: 90064-49-6 Catalog No: AG00H8H0 MDL No:
Product Description
Catalog Number:
AG00H8H0
Chemical Name:
2-Propanone, 1-(4-iodo-2,5-dimethoxyphenyl)-
CAS Number:
90064-49-6
Molecular Formula:
C11H13IO3
Molecular Weight:
320.1236
IUPAC Name:
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-one
InChI:
InChI=1S/C11H13IO3/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-6H,4H2,1-3H3
InChI Key:
FRNGNAZHWAHIDT-UHFFFAOYSA-N
SMILES:
COc1cc(I)c(cc1CC(=O)C)OC
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.126g/mol
Monoisotopic Mass:
319.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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