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Home > Nitro Compounds > 114144-95-5
114144-95-5 | Decanenitrile, 9-[2-(2,4-dinitrophenyl)hydrazinylidene]-5,5-dimethyl-4-oxo-
CAS No: 114144-95-5 Catalog No: AG000ANH MDL No:
Product Description
Catalog Number:
AG000ANH
Chemical Name:
Decanenitrile, 9-[2-(2,4-dinitrophenyl)hydrazinylidene]-5,5-dimethyl-4-oxo-
CAS Number:
114144-95-5
Molecular Formula:
C18H23N5O5
Molecular Weight:
389.4057
IUPAC Name:
9-[(2,4-dinitrophenyl)hydrazinylidene]-5,5-dimethyl-4-oxodecanenitrile
InChI:
InChI=1S/C18H23N5O5/c1-13(6-4-10-18(2,3)17(24)7-5-11-19)20-21-15-9-8-14(22(25)26)12-16(15)23(27)28/h8-9,12,21H,4-7,10H2,1-3H3
InChI Key:
MSEJYFDHXBQDBX-UHFFFAOYSA-N
SMILES:
N#CCCC(=O)C(CCCC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C)(C)C
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.17g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.412g/mol
Monoisotopic Mass:
389.17g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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