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92587-63-8

92587-63-8 | 2,4-Pentanedione, 3-[(trifluoromethyl)imino]-

CAS No: 92587-63-8 Catalog No: AG006GMN MDL No:

Product Description

Catalog Number:
AG006GMN
Chemical Name:
2,4-Pentanedione, 3-[(trifluoromethyl)imino]-
CAS Number:
92587-63-8
Molecular Formula:
C6H6F3NO2
Molecular Weight:
181.1125
IUPAC Name:
3-(trifluoromethylimino)pentane-2,4-dione
InChI:
InChI=1S/C6H6F3NO2/c1-3(11)5(4(2)12)10-6(7,8)9/h1-2H3
InChI Key:
GWWZETWOXNEUCF-UHFFFAOYSA-N
SMILES:
CC(=O)C(=NC(F)(F)F)C(=O)C

Properties

Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.114g/mol
Monoisotopic Mass:
181.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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