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31722-49-3 | 1H-Imidazole-2-carbonitrile
CAS No: 31722-49-3 Catalog No: AG00382T MDL No:MFCD08668415
Product Description
Catalog Number:
AG00382T
Chemical Name:
1H-Imidazole-2-carbonitrile
CAS Number:
31722-49-3
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
MDL Number:
MFCD08668415
IUPAC Name:
1H-imidazole-2-carbonitrile
InChI:
InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)
InChI Key:
QMQZIXCNLUPEIN-UHFFFAOYSA-N
SMILES:
N#Cc1ncc[nH]1
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 |
|---|---|
| Comparison of cyanide and carbon monoxide as ligands in iron(II) porphyrinates. | Angewandte Chemie (International ed. in English) 20090101 |
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