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918305-29-0

918305-29-0 | 2,5-Pyrrolidinedione, 1-[3-[4-(4-fluorophenyl)-2-thiazolyl]-2-propen-1-yl]-

CAS No: 918305-29-0 Catalog No: AG006GGF MDL No:

Product Description

Catalog Number:
AG006GGF
Chemical Name:
2,5-Pyrrolidinedione, 1-[3-[4-(4-fluorophenyl)-2-thiazolyl]-2-propen-1-yl]-
CAS Number:
918305-29-0
Molecular Formula:
C16H13FN2O2S
Molecular Weight:
316.3500
IUPAC Name:
1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C16H13FN2O2S/c17-12-5-3-11(4-6-12)13-10-22-14(18-13)2-1-9-19-15(20)7-8-16(19)21/h1-6,10H,7-9H2
InChI Key:
HMVJXLHGZLRQAU-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CC=Cc1scc(n1)c1ccc(cc1)F

Properties

Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.068g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.35g/mol
Monoisotopic Mass:
316.068g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  

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