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13134-71-9 | Ethanone, 1-(4-bromophenyl)-2-(2-thioxo-1(2H)-pyridinyl)-
CAS No: 13134-71-9 Catalog No: AG000VZA MDL No:
Product Description
Catalog Number:
AG000VZA
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2-(2-thioxo-1(2H)-pyridinyl)-
CAS Number:
13134-71-9
Molecular Formula:
C13H10BrNOS
Molecular Weight:
308.1936
IUPAC Name:
1-(4-bromophenyl)-2-(2-sulfanylidenepyridin-1-yl)ethanone
InChI:
InChI=1S/C13H10BrNOS/c14-11-6-4-10(5-7-11)12(16)9-15-8-2-1-3-13(15)17/h1-8H,9H2
InChI Key:
QAAKHXLLSXIMQU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Cn1ccccc1=S
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.967g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.193g/mol
Monoisotopic Mass:
306.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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