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Home > Nitro Compounds > 14086-21-6
14086-21-6 | Butanal, 2-ethyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 14086-21-6 Catalog No: AG001CWT MDL No:
Product Description
Catalog Number:
AG001CWT
Chemical Name:
Butanal, 2-ethyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
14086-21-6
Molecular Formula:
C12H16N4O4
Molecular Weight:
280.2798
IUPAC Name:
N-(2-ethylbutylideneamino)-2,4-dinitroaniline
InChI:
InChI=1S/C12H16N4O4/c1-3-9(4-2)8-13-14-11-6-5-10(15(17)18)7-12(11)16(19)20/h5-9,14H,3-4H2,1-2H3
InChI Key:
PJQWUVGTXBCLCM-UHFFFAOYSA-N
SMILES:
CCC(C=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.117g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.284g/mol
Monoisotopic Mass:
280.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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