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872-49-1 | 5-Chloro-1-methyl-1H-imidazole
CAS No: 872-49-1 Catalog No: AG003MLT MDL No:MFCD00014505
Product Description
Catalog Number:
AG003MLT
Chemical Name:
5-Chloro-1-methyl-1H-imidazole
CAS Number:
872-49-1
Molecular Formula:
C4H5ClN2
Molecular Weight:
116.5489
MDL Number:
MFCD00014505
IUPAC Name:
5-chloro-1-methylimidazole
InChI:
InChI=1S/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3
InChI Key:
NYDGOZPYEABERA-UHFFFAOYSA-N
SMILES:
Cn1cncc1Cl
EC Number:
212-827-6
Properties
Complexity:
66.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.548g/mol
Monoisotopic Mass:
116.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Mechanistic elucidation of the substitution behavior of alkyl cobaloximes in water and methanol as solvents. | Inorganic chemistry 20040920 |
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