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Home > Nitro Compounds > 2074-08-0
2074-08-0 | 1-Butanone, 1-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 2074-08-0 Catalog No: AG002J1J MDL No:
Product Description
Catalog Number:
AG002J1J
Chemical Name:
1-Butanone, 1-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
2074-08-0
Molecular Formula:
C16H16N4O4
Molecular Weight:
328.3226
IUPAC Name:
2,4-dinitro-N-(1-phenylbutylideneamino)aniline
InChI:
InChI=1S/C16H16N4O4/c1-2-6-14(12-7-4-3-5-8-12)17-18-15-10-9-13(19(21)22)11-16(15)20(23)24/h3-5,7-11,18H,2,6H2,1H3
InChI Key:
IRINKFVZVBARKS-UHFFFAOYSA-N
SMILES:
CCCC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.328g/mol
Monoisotopic Mass:
328.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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