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879896-53-4 | Ethanone,2-bromo-1-[4-(3-thienyl)phenyl]-
CAS No: 879896-53-4 Catalog No: AG004OQP MDL No:MFCD08435894
Product Description
Catalog Number:
AG004OQP
Chemical Name:
Ethanone,2-bromo-1-[4-(3-thienyl)phenyl]-
CAS Number:
879896-53-4
Molecular Formula:
C12H9BrOS
Molecular Weight:
281.1683
MDL Number:
MFCD08435894
IUPAC Name:
2-bromo-1-(4-thiophen-3-ylphenyl)ethanone
InChI:
InChI=1S/C12H9BrOS/c13-7-12(14)10-3-1-9(2-4-10)11-5-6-15-8-11/h1-6,8H,7H2
InChI Key:
ZTZQYKSMNMDCKR-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)c1ccsc1
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:
3.7
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