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25186-92-9 | Benzene, 1-bromo-4-(phenylsulfinyl)-
CAS No: 25186-92-9 Catalog No: AG002QT4 MDL No:
Product Description
Catalog Number:
AG002QT4
Chemical Name:
Benzene, 1-bromo-4-(phenylsulfinyl)-
CAS Number:
25186-92-9
Molecular Formula:
C12H9BrOS
Molecular Weight:
281.1683
IUPAC Name:
1-(benzenesulfinyl)-4-bromobenzene
InChI:
InChI=1S/C12H9BrOS/c13-10-6-8-12(9-7-10)15(14)11-4-2-1-3-5-11/h1-9H
InChI Key:
ZTRXUNUYTUUDRR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)c1ccccc1
Properties
Complexity:
218
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:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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