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89403-42-9 | 2(5H)-Furanone, 3-chloro-4-[(2-methylpropyl)thio]-5-phenyl-
CAS No: 89403-42-9 Catalog No: AG003VYH MDL No:
Product Description
Catalog Number:
AG003VYH
Chemical Name:
2(5H)-Furanone, 3-chloro-4-[(2-methylpropyl)thio]-5-phenyl-
CAS Number:
89403-42-9
Molecular Formula:
C14H15ClO2S
Molecular Weight:
282.7857
IUPAC Name:
4-chloro-3-(2-methylpropylsulfanyl)-2-phenyl-2H-furan-5-one
InChI:
InChI=1S/C14H15ClO2S/c1-9(2)8-18-13-11(15)14(16)17-12(13)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChI Key:
AIIJLFHYUAFRRP-UHFFFAOYSA-N
SMILES:
CC(CSC1=C(Cl)C(=O)OC1c1ccccc1)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.782g/mol
Monoisotopic Mass:
282.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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