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Home > Nitro Compounds > 87841-86-9
87841-86-9 | Pentanenitrile, 5-[(2,4-dinitrophenyl)hydrazono]-2-methyl-
CAS No: 87841-86-9 Catalog No: AG004ELS MDL No:
Product Description
Catalog Number:
AG004ELS
Chemical Name:
Pentanenitrile, 5-[(2,4-dinitrophenyl)hydrazono]-2-methyl-
CAS Number:
87841-86-9
Molecular Formula:
C12H13N5O4
Molecular Weight:
291.2627
IUPAC Name:
5-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylpentanenitrile
InChI:
InChI=1S/C12H13N5O4/c1-9(8-13)3-2-6-14-15-11-5-4-10(16(18)19)7-12(11)17(20)21/h4-7,9,15H,2-3H2,1H3
InChI Key:
LJCSAZWBBCSRKA-UHFFFAOYSA-N
SMILES:
N#CC(CCC=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.267g/mol
Monoisotopic Mass:
291.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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