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1179822-13-9 | 1-(4-IODOPHENYL)-2-(METHYLSULFANYL)ETHAN-1-ONE
CAS No: 1179822-13-9 Catalog No: AG01BIR2 MDL No:MFCD12823804
Product Description
Catalog Number:
AG01BIR2
Chemical Name:
1-(4-IODOPHENYL)-2-(METHYLSULFANYL)ETHAN-1-ONE
CAS Number:
1179822-13-9
Molecular Formula:
C9H9IOS
Molecular Weight:
292.1366
MDL Number:
MFCD12823804
IUPAC Name:
1-(4-iodophenyl)-2-methylsulfanylethanone
InChI:
InChI=1S/C9H9IOS/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChI Key:
NVPHHDPZWUCDKD-UHFFFAOYSA-N
SMILES:
CSCC(=O)c1ccc(cc1)I
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.942g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.134g/mol
Monoisotopic Mass:
291.942g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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