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89403-51-0

89403-51-0 | 2(5H)-Furanone, 3-chloro-4-(ethylthio)-5-phenyl-

CAS No: 89403-51-0 Catalog No: AG004NDZ MDL No:

Product Description

Catalog Number:
AG004NDZ
Chemical Name:
2(5H)-Furanone, 3-chloro-4-(ethylthio)-5-phenyl-
CAS Number:
89403-51-0
Molecular Formula:
C12H11ClO2S
Molecular Weight:
254.7325
IUPAC Name:
4-chloro-3-ethylsulfanyl-2-phenyl-2H-furan-5-one
InChI:
InChI=1S/C12H11ClO2S/c1-2-16-11-9(13)12(14)15-10(11)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3
InChI Key:
WMAAADPLYPBCCQ-UHFFFAOYSA-N
SMILES:
CCSC1=C(Cl)C(=O)OC1c1ccccc1

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.017g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.728g/mol
Monoisotopic Mass:
254.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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