Home Halogens 3'-Iodo-5'-bromoacetophenone

3'-Iodo-5'-bromoacetophenone

CAS No.:
1003712-14-8
Catalog Number:
AG008UE7
Molecular Formula:
C8H6BrIO
Molecular Weight:
324.9411
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Product Description
Catalog Number:
AG008UE7
Chemical Name:
3'-Iodo-5'-bromoacetophenone
CAS Number:
1003712-14-8
Molecular Formula:
C8H6BrIO
Molecular Weight:
324.9411
MDL Number:
MFCD02683852
IUPAC Name:
1-(3-bromo-5-iodophenyl)ethanone
InChI:
InChI=1S/C8H6BrIO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChI Key:
ZTUMZGVEBVJSBY-UHFFFAOYSA-N
SMILES:
Brc1cc(I)cc(c1)C(=O)C
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  
Properties