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113502-90-2 | 2-Butanone, 4-bromo-1-chloro-1-(phenylthio)-
CAS No: 113502-90-2 Catalog No: AG0008SQ MDL No:
Product Description
Catalog Number:
AG0008SQ
Chemical Name:
2-Butanone, 4-bromo-1-chloro-1-(phenylthio)-
CAS Number:
113502-90-2
Molecular Formula:
C10H10BrClOS
Molecular Weight:
293.6078
IUPAC Name:
4-bromo-1-chloro-1-phenylsulfanylbutan-2-one
InChI:
InChI=1S/C10H10BrClOS/c11-7-6-9(13)10(12)14-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChI Key:
NWKHEMFLNXJGJJ-UHFFFAOYSA-N
SMILES:
BrCCC(=O)C(Sc1ccccc1)Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.932g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.603g/mol
Monoisotopic Mass:
291.932g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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