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127427-35-4 | 2H-Pyran-2-one, 6-(4-bromophenyl)-4-(methylthio)-
CAS No: 127427-35-4 Catalog No: AG000X2L MDL No:
Product Description
Catalog Number:
AG000X2L
Chemical Name:
2H-Pyran-2-one, 6-(4-bromophenyl)-4-(methylthio)-
CAS Number:
127427-35-4
Molecular Formula:
C12H9BrO2S
Molecular Weight:
297.1677
IUPAC Name:
6-(4-bromophenyl)-4-methylsulfanylpyran-2-one
InChI:
InChI=1S/C12H9BrO2S/c1-16-10-6-11(15-12(14)7-10)8-2-4-9(13)5-3-8/h2-7H,1H3
InChI Key:
QMACMIZCZLWQQZ-UHFFFAOYSA-N
SMILES:
CSc1cc(=O)oc(c1)c1ccc(cc1)Br
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.166g/mol
Monoisotopic Mass:
295.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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