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86017-96-1 | Propanedinitrile, [[4-(chloroacetyl)phenyl]hydrazono]-
CAS No: 86017-96-1 Catalog No: AG004V3L MDL No:
Product Description
Catalog Number:
AG004V3L
Chemical Name:
Propanedinitrile, [[4-(chloroacetyl)phenyl]hydrazono]-
CAS Number:
86017-96-1
Molecular Formula:
C11H7ClN4O
Molecular Weight:
246.6525
IUPAC Name:
2-[[4-(2-chloroacetyl)phenyl]hydrazinylidene]propanedinitrile
InChI:
InChI=1S/C11H7ClN4O/c12-5-11(17)8-1-3-9(4-2-8)15-16-10(6-13)7-14/h1-4,15H,5H2
InChI Key:
ARUUDRZOVHJRDG-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1)NN=C(C#N)C#N
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.654g/mol
Monoisotopic Mass:
246.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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