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99540-20-2 | 2-(2-IODO-5-METHOXY-PHENYL)-N,N-DIMETHYL-ACETAMIDE
CAS No: 99540-20-2 Catalog No: AG005S1U MDL No:
Product Description
Catalog Number:
AG005S1U
Chemical Name:
2-(2-IODO-5-METHOXY-PHENYL)-N,N-DIMETHYL-ACETAMIDE
CAS Number:
99540-20-2
Molecular Formula:
C11H14INO2
Molecular Weight:
319.1388
IUPAC Name:
2-(2-iodo-5-methoxyphenyl)-N,N-dimethylacetamide
InChI:
InChI=1S/C11H14INO2/c1-13(2)11(14)7-8-6-9(15-3)4-5-10(8)12/h4-6H,7H2,1-3H3
InChI Key:
MCNOFYYFRXRROA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CC(=O)N(C)C)I
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.142g/mol
Monoisotopic Mass:
319.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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