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DFHBI 1T

CAS No.:
1539318-36-9
Catalog Number:
AG01C3T7
Molecular Formula:
C13H9F5N2O2
Molecular Weight:
320.2148
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Product Description
Catalog Number:
AG01C3T7
Chemical Name:
DFHBI 1T
CAS Number:
1539318-36-9
Molecular Formula:
C13H9F5N2O2
Molecular Weight:
320.2148
MDL Number:
MFCD29081187
IUPAC Name:
(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-one
InChI:
InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4-
InChI Key:
AWYCLBWNRONMQC-WMZJFQQLSA-N
SMILES:
FC(CN1C(=NC(=Cc2cc(F)c(c(c2)F)O)C1=O)C)(F)F
Properties
Complexity:
505  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
320.058g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.219g/mol
Monoisotopic Mass:
320.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties