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126175-14-2 | Butanoic acid, 2-[2-(2-fluorophenyl)hydrazinylidene]-3-oxo-, ethyl ester
CAS No: 126175-14-2 Catalog No: AG000RZB MDL No:
Product Description
Catalog Number:
AG000RZB
Chemical Name:
Butanoic acid, 2-[2-(2-fluorophenyl)hydrazinylidene]-3-oxo-, ethyl ester
CAS Number:
126175-14-2
Molecular Formula:
C12H13FN2O3
Molecular Weight:
252.2416
IUPAC Name:
ethyl 2-[(2-fluorophenyl)diazenyl]-3-hydroxybut-2-enoate
InChI:
InChI=1S/C12H13FN2O3/c1-3-18-12(17)11(8(2)16)15-14-10-7-5-4-6-9(10)13/h4-7,16H,3H2,1-2H3
InChI Key:
CDSHHYOPOGVGFS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NNc1ccccc1F)C(=O)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.245g/mol
Monoisotopic Mass:
252.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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