Home Other Building Blocks 4,4-DIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE

4,4-DIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE

CAS No.:
76629-94-2
Catalog Number:
AG01ANLZ
Molecular Formula:
C8H6F2O2S
Molecular Weight:
204.1938
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Product Description
Catalog Number:
AG01ANLZ
Chemical Name:
4,4-DIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE
CAS Number:
76629-94-2
Molecular Formula:
C8H6F2O2S
Molecular Weight:
204.1938
MDL Number:
MFCD03420635
IUPAC Name:
4,4-difluoro-1-thiophen-2-ylbutane-1,3-dione
InChI:
InChI=1S/C8H6F2O2S/c9-8(10)6(12)4-5(11)7-2-1-3-13-7/h1-3,8H,4H2
InChI Key:
BYASAUCNBVCUOY-UHFFFAOYSA-N
SMILES:
O=C(C(F)F)CC(=O)c1cccs1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.006g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.191g/mol
Monoisotopic Mass:
204.006g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties