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Home > Fluorides > 306935-40-0
306935-40-0 | 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thiazolyl)-
CAS No: 306935-40-0 Catalog No: AG0030VU MDL No:MFCD01570586
Product Description
Catalog Number:
AG0030VU
Chemical Name:
1,3-Butanedione, 4,4,4-trifluoro-1-(2-thiazolyl)-
CAS Number:
306935-40-0
Molecular Formula:
C7H4F3NO2S
Molecular Weight:
223.1724
MDL Number:
MFCD01570586
IUPAC Name:
4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione
InChI:
InChI=1S/C7H4F3NO2S/c8-7(9,10)5(13)3-4(12)6-11-1-2-14-6/h1-2H,3H2
InChI Key:
RABBUDYHJFHMOA-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CC(=O)c1nccs1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.169g/mol
Monoisotopic Mass:
222.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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