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348616-35-3 | 1-(1-iodonaphthalen-2-yl)ethan-1-one
CAS No: 348616-35-3 Catalog No: AG01ELIC MDL No:MFCD31447123
Product Description
Catalog Number:
AG01ELIC
Chemical Name:
1-(1-iodonaphthalen-2-yl)ethan-1-one
CAS Number:
348616-35-3
Molecular Formula:
C12H9IO
Molecular Weight:
296.1037
MDL Number:
MFCD31447123
IUPAC Name:
1-(1-iodonaphthalen-2-yl)ethanone
InChI:
InChI=1S/C12H9IO/c1-8(14)10-7-6-9-4-2-3-5-11(9)12(10)13/h2-7H,1H3
InChI Key:
QPSMPFQFWJCQQL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1I)cccc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.97g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.107g/mol
Monoisotopic Mass:
295.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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