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108350-39-6 | 1-Butanone,2-iodo-1-phenyl-
CAS No: 108350-39-6 Catalog No: AG007UTY MDL No:
Product Description
Catalog Number:
AG007UTY
Chemical Name:
1-Butanone,2-iodo-1-phenyl-
CAS Number:
108350-39-6
Molecular Formula:
C10H11IO
Molecular Weight:
274.0982
IUPAC Name:
2-iodo-1-phenylbutan-1-one
InChI:
InChI=1S/C10H11IO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key:
UFCLBBGTLDNBAG-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccccc1)I
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.101g/mol
Monoisotopic Mass:
273.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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