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89403-61-2 | 2(5H)-Furanone, 3-chloro-5-phenyl-4-(propylthio)-
CAS No: 89403-61-2 Catalog No: AG003VX5 MDL No:
Product Description
Catalog Number:
AG003VX5
Chemical Name:
2(5H)-Furanone, 3-chloro-5-phenyl-4-(propylthio)-
CAS Number:
89403-61-2
Molecular Formula:
C13H13ClO2S
Molecular Weight:
268.7591
IUPAC Name:
4-chloro-2-phenyl-3-propylsulfanyl-2H-furan-5-one
InChI:
InChI=1S/C13H13ClO2S/c1-2-8-17-12-10(14)13(15)16-11(12)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChI Key:
SQEYAGWVOQOGMC-UHFFFAOYSA-N
SMILES:
CCCSC1=C(Cl)C(=O)OC1c1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.755g/mol
Monoisotopic Mass:
268.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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