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1494-99-1 | Butanoic acid, 4,4,4-trifluoro-3-oxo-2-(2-phenyldiazenyl)-, ethyl ester
CAS No: 1494-99-1 Catalog No: AG001LOB MDL No:
Product Description
Catalog Number:
AG001LOB
Chemical Name:
Butanoic acid, 4,4,4-trifluoro-3-oxo-2-(2-phenyldiazenyl)-, ethyl ester
CAS Number:
1494-99-1
Molecular Formula:
C12H11F3N2O3
Molecular Weight:
288.2225
IUPAC Name:
ethyl 4,4,4-trifluoro-3-oxo-2-phenyldiazenylbutanoate
InChI:
InChI=1S/C12H11F3N2O3/c1-2-20-11(19)9(10(18)12(13,14)15)17-16-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key:
FKWOGNJCODRLLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C(F)(F)F)N=Nc1ccccc1
NSC Number:
120369
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.226g/mol
Monoisotopic Mass:
288.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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