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Home > Nitro Compounds > 27607-97-2
27607-97-2 | 2-Hexanone, 4-methyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 27607-97-2 Catalog No: AG002U7L MDL No:
Product Description
Catalog Number:
AG002U7L
Chemical Name:
2-Hexanone, 4-methyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
27607-97-2
Molecular Formula:
C13H18N4O4
Molecular Weight:
294.3064
IUPAC Name:
N-(4-methylhexan-2-ylideneamino)-2,4-dinitroaniline
InChI:
InChI=1S/C13H18N4O4/c1-4-9(2)7-10(3)14-15-12-6-5-11(16(18)19)8-13(12)17(20)21/h5-6,8-9,15H,4,7H2,1-3H3
InChI Key:
IDWRVKRTUHQZTE-UHFFFAOYSA-N
SMILES:
CCC(CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.311g/mol
Monoisotopic Mass:
294.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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