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89403-48-5 | 2(5H)-Furanone, 3-chloro-5-phenyl-4-[(phenylmethyl)thio]-
CAS No: 89403-48-5 Catalog No: AG004NE0 MDL No:
Product Description
Catalog Number:
AG004NE0
Chemical Name:
2(5H)-Furanone, 3-chloro-5-phenyl-4-[(phenylmethyl)thio]-
CAS Number:
89403-48-5
Molecular Formula:
C17H13ClO2S
Molecular Weight:
316.8019
IUPAC Name:
3-benzylsulfanyl-4-chloro-2-phenyl-2H-furan-5-one
InChI:
InChI=1S/C17H13ClO2S/c18-14-16(21-11-12-7-3-1-4-8-12)15(20-17(14)19)13-9-5-2-6-10-13/h1-10,15H,11H2
InChI Key:
CTHMOSYURXDVCE-UHFFFAOYSA-N
SMILES:
ClC1=C(SCc2ccccc2)C(OC1=O)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.032g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.799g/mol
Monoisotopic Mass:
316.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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