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Home > Fluorides > 1197240-23-5
1197240-23-5 | Sodium 1,1-difluoro-4-(4-fluoro-phenyl)-4-oxo-but-2-en-2-olate
CAS No: 1197240-23-5 Catalog No: AG01F2GK MDL No:
Product Description
Catalog Number:
AG01F2GK
Chemical Name:
Sodium 1,1-difluoro-4-(4-fluoro-phenyl)-4-oxo-but-2-en-2-olate
CAS Number:
1197240-23-5
Molecular Formula:
C10H6F3NaO2
Molecular Weight:
238.1384
IUPAC Name:
sodium;(E)-1,1-difluoro-4-(4-fluorophenyl)-4-oxobut-2-en-2-olate
InChI:
InChI=1S/C10H7F3O2.Na/c11-7-3-1-6(2-4-7)8(14)5-9(15)10(12)13;/h1-5,10,15H;/q;+1/p-1/b9-5+;
InChI Key:
ZFJFDVRGIFZKKE-SZKNIZGXSA-M
SMILES:
[O-]/C(=C/C(=O)c1ccc(cc1)F)/C(F)F.[Na+]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
238.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.141g/mol
Monoisotopic Mass:
238.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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