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Home > Nitro Compounds > 16459-39-5
16459-39-5 | Butanenitrile, 3-[2-(2-nitrophenyl)hydrazinylidene]-
CAS No: 16459-39-5 Catalog No: AG001UYJ MDL No:
Product Description
Catalog Number:
AG001UYJ
Chemical Name:
Butanenitrile, 3-[2-(2-nitrophenyl)hydrazinylidene]-
CAS Number:
16459-39-5
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
3-[(2-nitrophenyl)hydrazinylidene]butanenitrile
InChI:
InChI=1S/C10H10N4O2/c1-8(6-7-11)12-13-9-4-2-3-5-10(9)14(15)16/h2-5,13H,6H2,1H3
InChI Key:
DADFIQMINUSARW-UHFFFAOYSA-N
SMILES:
N#CCC(=NNc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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