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128746-80-5 | Ethanone, 2-bromo-1-[4-(2-thienyl)phenyl]-
CAS No: 128746-80-5 Catalog No: AG000YD3 MDL No:MFCD06659059
Product Description
Catalog Number:
AG000YD3
Chemical Name:
Ethanone, 2-bromo-1-[4-(2-thienyl)phenyl]-
CAS Number:
128746-80-5
Molecular Formula:
C12H9BrOS
Molecular Weight:
281.1683
MDL Number:
MFCD06659059
IUPAC Name:
2-bromo-1-(4-thiophen-2-ylphenyl)ethanone
InChI:
InChI=1S/C12H9BrOS/c13-8-11(14)9-3-5-10(6-4-9)12-2-1-7-15-12/h1-7H,8H2
InChI Key:
QFHKNYPNLSJEQI-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)c1cccs1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.956g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.167g/mol
Monoisotopic Mass:
279.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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