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161957-62-6 | Ethanone, 1-(3-bromo-2-chlorophenyl)-
CAS No: 161957-62-6 Catalog No: AG001SJZ MDL No:MFCD18390299
Product Description
Catalog Number:
AG001SJZ
Chemical Name:
Ethanone, 1-(3-bromo-2-chlorophenyl)-
CAS Number:
161957-62-6
Molecular Formula:
C8H6BrClO
Molecular Weight:
233.4896
MDL Number:
MFCD18390299
IUPAC Name:
1-(3-bromo-2-chlorophenyl)ethanone
InChI:
InChI=1S/C8H6BrClO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
InChI Key:
XNQYDIUKOZQSOM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1Cl)Br
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.929g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.489g/mol
Monoisotopic Mass:
231.929g/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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