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57090-88-7 | 1H-Imidazole-4-carbonitrile
CAS No: 57090-88-7 Catalog No: AG0037LF MDL No:MFCD00233358
Product Description
Catalog Number:
AG0037LF
Chemical Name:
1H-Imidazole-4-carbonitrile
CAS Number:
57090-88-7
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
MDL Number:
MFCD00233358
IUPAC Name:
1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)
InChI Key:
NWVGXXPWOYZODV-UHFFFAOYSA-N
SMILES:
c1c(nc[nH]1)C#N
EC Number:
611-464-4
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
93.033g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
93.089g/mol
Monoisotopic Mass:
93.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| trans-Diaqua-bis[5-(1H-imidazol-4-yl-κN)-1H-tetra-zolato-κN]zinc(II). | Acta crystallographica. Section E, Structure reports online 20090501 |
| 4-cyanoimidazolate: a new pseudo-cyanide? | Inorganic chemistry 20040809 |
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