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88577-87-1 | Ethanone, 2-bromo-1-(4-chlorophenyl)-2-[(1,1-dimethylethyl)thio]-
CAS No: 88577-87-1 Catalog No: AG004BRP MDL No:
Product Description
Catalog Number:
AG004BRP
Chemical Name:
Ethanone, 2-bromo-1-(4-chlorophenyl)-2-[(1,1-dimethylethyl)thio]-
CAS Number:
88577-87-1
Molecular Formula:
C12H14BrClOS
Molecular Weight:
321.6610
IUPAC Name:
2-bromo-2-tert-butylsulfanyl-1-(4-chlorophenyl)ethanone
InChI:
InChI=1S/C12H14BrClOS/c1-12(2,3)16-11(13)10(15)8-4-6-9(14)7-5-8/h4-7,11H,1-3H3
InChI Key:
ZHNGATRXCSTZIP-UHFFFAOYSA-N
SMILES:
BrC(C(=O)c1ccc(cc1)Cl)SC(C)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.657g/mol
Monoisotopic Mass:
319.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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