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Home > Nitro Compounds > 1655-42-1
1655-42-1 | 2-Pentanone, 4-methyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 1655-42-1 Catalog No: AG001W6L MDL No:
Product Description
Catalog Number:
AG001W6L
Chemical Name:
2-Pentanone, 4-methyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
1655-42-1
Molecular Formula:
C12H16N4O4
Molecular Weight:
280.2798
IUPAC Name:
N-(4-methylpentan-2-ylideneamino)-2,4-dinitroaniline
InChI:
InChI=1S/C12H16N4O4/c1-8(2)6-9(3)13-14-11-5-4-10(15(17)18)7-12(11)16(19)20/h4-5,7-8,14H,6H2,1-3H3
InChI Key:
UNLVZDNGQXFBAY-UHFFFAOYSA-N
SMILES:
CC(CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C)C
Properties
Complexity:
386
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:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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