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Home > Imidazoles > 154312-63-7
154312-63-7 | 1H-Imidazolium,3-(cyanomethyl)-1-methyl-, chloride (1:1)
CAS No: 154312-63-7 Catalog No: AG007GAV MDL No:
Product Description
Catalog Number:
AG007GAV
Chemical Name:
1H-Imidazolium,3-(cyanomethyl)-1-methyl-, chloride (1:1)
CAS Number:
154312-63-7
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
IUPAC Name:
2-(3-methylimidazol-3-ium-1-yl)acetonitrile;chloride
InChI:
InChI=1S/C6H8N3.ClH/c1-8-4-5-9(6-8)3-2-7;/h4-6H,3H2,1H3;1H/q+1;/p-1
InChI Key:
WBDDQUDDZPKVRV-UHFFFAOYSA-M
SMILES:
N#CC[n+]1ccn(c1)C.[Cl-]
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.601g/mol
Monoisotopic Mass:
157.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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