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54454-10-3 | 5-Chloro-1,3-dimethyl-1H-pyrazole
CAS No: 54454-10-3 Catalog No: AG003MLN MDL No:MFCD00051650
Product Description
Catalog Number:
AG003MLN
Chemical Name:
5-Chloro-1,3-dimethyl-1H-pyrazole
CAS Number:
54454-10-3
Molecular Formula:
C5H7ClN2
Molecular Weight:
130.5755
MDL Number:
MFCD00051650
IUPAC Name:
5-chloro-1,3-dimethylpyrazole
InChI:
InChI=1S/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChI Key:
DDUSLFAWARYAPR-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)Cl)C
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.03g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.575g/mol
Monoisotopic Mass:
130.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Palladium-catalyzed direct arylation of 5-chloropyrazoles: a selective access to 4-aryl pyrazoles. | The Journal of organic chemistry 20120907 |
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