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Home > Nitro Compounds > 89140-16-9
89140-16-9 | Guanidine, [4-[(2,4-dinitrophenyl)hydrazono]butyl]-
CAS No: 89140-16-9 Catalog No: AG003WXD MDL No:
Product Description
Catalog Number:
AG003WXD
Chemical Name:
Guanidine, [4-[(2,4-dinitrophenyl)hydrazono]butyl]-
CAS Number:
89140-16-9
Molecular Formula:
C11H15N7O4
Molecular Weight:
309.2813
IUPAC Name:
2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine
InChI:
InChI=1S/C11H15N7O4/c12-11(13)14-5-1-2-6-15-16-9-4-3-8(17(19)20)7-10(9)18(21)22/h3-4,6-7,16H,1-2,5H2,(H4,12,13,14)
InChI Key:
CGBRELDBCPLCRK-UHFFFAOYSA-N
SMILES:
NC(=N)NCCCC=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.286g/mol
Monoisotopic Mass:
309.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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