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146091-75-0 | 1H-Imidazole-5-carbonyl chloride, 4-cyano-1-methyl-
CAS No: 146091-75-0 Catalog No: AG001DOL MDL No:
Product Description
Catalog Number:
AG001DOL
Chemical Name:
1H-Imidazole-5-carbonyl chloride, 4-cyano-1-methyl-
CAS Number:
146091-75-0
Molecular Formula:
C6H4ClN3O
Molecular Weight:
169.5685
IUPAC Name:
5-cyano-3-methylimidazole-4-carbonyl chloride
InChI:
InChI=1S/C6H4ClN3O/c1-10-3-9-4(2-8)5(10)6(7)11/h3H,1H3
InChI Key:
COCIOZWCVKOSBK-UHFFFAOYSA-N
SMILES:
N#Cc1ncn(c1C(=O)Cl)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.568g/mol
Monoisotopic Mass:
169.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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