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252561-81-2 | 2'-Chloro-4'-bromoacetophenone
CAS No: 252561-81-2 Catalog No: AG003650 MDL No:MFCD07781036
Product Description
Catalog Number:
AG003650
Chemical Name:
2'-Chloro-4'-bromoacetophenone
CAS Number:
252561-81-2
Molecular Formula:
C8H6BrClO
Molecular Weight:
233.4896
MDL Number:
MFCD07781036
IUPAC Name:
1-(4-bromo-2-chlorophenyl)ethanone
InChI:
InChI=1S/C8H6BrClO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChI Key:
QYKIWOVJASCUBH-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Cl)C(=O)C
EC Number:
607-673-5
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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