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99254-53-2 | 4-(2-iodo-5-methoxyphenyl)butan-2-one
CAS No: 99254-53-2 Catalog No: AG01DJI6 MDL No:MFCD27935294
Product Description
Catalog Number:
AG01DJI6
Chemical Name:
4-(2-iodo-5-methoxyphenyl)butan-2-one
CAS Number:
99254-53-2
Molecular Formula:
C11H13IO2
Molecular Weight:
304.1242
MDL Number:
MFCD27935294
IUPAC Name:
4-(2-iodo-5-methoxyphenyl)butan-2-one
InChI:
InChI=1S/C11H13IO2/c1-8(13)3-4-9-7-10(14-2)5-6-11(9)12/h5-7H,3-4H2,1-2H3
InChI Key:
RPZRPEAONLVFLV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CCC(=O)C)I
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.127g/mol
Monoisotopic Mass:
303.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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