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1261648-81-0 | Ethanone, 1-(5-bromo-2-iodophenyl)-
CAS No: 1261648-81-0 Catalog No: AG000RXV MDL No:MFCD18391613
Product Description
Catalog Number:
AG000RXV
Chemical Name:
Ethanone, 1-(5-bromo-2-iodophenyl)-
CAS Number:
1261648-81-0
Molecular Formula:
C8H6BrIO
Molecular Weight:
324.9411
MDL Number:
MFCD18391613
IUPAC Name:
1-(5-bromo-2-iodophenyl)ethanone
InChI:
InChI=1S/C8H6BrIO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChI Key:
KXTYYQSRAGKUSX-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)C)I
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.865g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.943g/mol
Monoisotopic Mass:
323.865g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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