1H-Imidazole-4,5-dicarbonitrile, 2-butyl-


Chemical Name: 1H-Imidazole-4,5-dicarbonitrile, 2-butyl-
CAS Number: 114772-25-7
Product Number: AG000F74(AGN-PC-0LPACJ)
Synonyms:
MDL No:
Molecular Formula: C9H10N4
Molecular Weight: 174.2025

Identification/Properties


Computed Properties
Molecular Weight:
174.207g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
174.091g/mol
Monoisotopic Mass:
174.091g/mol
Topological Polar Surface Area:
76.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
255
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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