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1889-78-7 | Ethanone, 2-bromo-1-(4-chlorophenyl)-2-phenyl-
CAS No: 1889-78-7 Catalog No: AG002HHH MDL No:MFCD00052201
Product Description
Catalog Number:
AG002HHH
Chemical Name:
Ethanone, 2-bromo-1-(4-chlorophenyl)-2-phenyl-
CAS Number:
1889-78-7
Molecular Formula:
C14H10BrClO
Molecular Weight:
309.5856
MDL Number:
MFCD00052201
IUPAC Name:
2-bromo-1-(4-chlorophenyl)-2-phenylethanone
InChI:
InChI=1S/C14H10BrClO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
InChI Key:
OBEFSOTWERFWSZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)C(c1ccccc1)Br
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.96g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.587g/mol
Monoisotopic Mass:
307.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| 1-(4-Chloro-phen-yl)-2-phenyl-2-(3-phenyl-1-isoquinolylsulfan-yl)ethanone. | Acta crystallographica. Section E, Structure reports online 20091101 |
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