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Home > Fluorides > 1197240-17-7
1197240-17-7 | Sodium 1,1,1-trifluoro-4-(5-methyl-thiophen-2-yl) -4-oxo-but-2-en-2-olate
CAS No: 1197240-17-7 Catalog No: AG01F2AF MDL No:
Product Description
Catalog Number:
AG01F2AF
Chemical Name:
Sodium 1,1,1-trifluoro-4-(5-methyl-thiophen-2-yl) -4-oxo-but-2-en-2-olate
CAS Number:
1197240-17-7
Molecular Formula:
C9H6F3NaO2S
Molecular Weight:
258.1927
IUPAC Name:
sodium;(E)-1,1,1-trifluoro-4-(5-methylthiophen-2-yl)-4-oxobut-2-en-2-olate
InChI:
InChI=1S/C9H7F3O2S.Na/c1-5-2-3-7(15-5)6(13)4-8(14)9(10,11)12;/h2-4,14H,1H3;/q;+1/p-1/b8-4+;
InChI Key:
YHMUMDPDVWHGNM-ZFXMFRGYSA-M
SMILES:
O=C(c1ccc(s1)C)/C=C(\C(F)(F)F)/[O-].[Na+]
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
257.994g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.19g/mol
Monoisotopic Mass:
257.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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