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Home > Imidazoles > 19225-94-6
19225-94-6 | 1H-Imidazole-5-carbonitrile, 1,2-dimethyl-
CAS No: 19225-94-6 Catalog No: AG002FSQ MDL No:MFCD18808739
Product Description
Catalog Number:
AG002FSQ
Chemical Name:
1H-Imidazole-5-carbonitrile, 1,2-dimethyl-
CAS Number:
19225-94-6
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD18808739
IUPAC Name:
2,3-dimethylimidazole-4-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-5-8-4-6(3-7)9(5)2/h4H,1-2H3
InChI Key:
MLYOZRGHMNWTQC-UHFFFAOYSA-N
SMILES:
Cn1c(cnc1C)C#N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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