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79324-77-9 | 1-(3-Iodo-4-methoxyphenyl)ethanone
CAS No: 79324-77-9 Catalog No: AG003ISH MDL No:MFCD02258873
Product Description
Catalog Number:
AG003ISH
Chemical Name:
1-(3-Iodo-4-methoxyphenyl)ethanone
CAS Number:
79324-77-9
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD02258873
IUPAC Name:
1-(3-iodo-4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9IO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChI Key:
YDTWTLOLPFLZHX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1I)C(=O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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