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166525-97-9 | 1-Propanone, 1-(4-bromo-2-chlorophenyl)-
CAS No: 166525-97-9 Catalog No: AG001WT1 MDL No:MFCD18390626
Product Description
Catalog Number:
AG001WT1
Chemical Name:
1-Propanone, 1-(4-bromo-2-chlorophenyl)-
CAS Number:
166525-97-9
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
MDL Number:
MFCD18390626
IUPAC Name:
1-(4-bromo-2-chlorophenyl)propan-1-one
InChI:
InChI=1S/C9H8BrClO/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
InChI Key:
HTAIAXBXKUEXHB-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1Cl)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.516g/mol
Monoisotopic Mass:
245.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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