Home Halogens 5-chloro-3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile

5-chloro-3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile

CAS No.:
1339128-47-0
Catalog Number:
AG01BTY3
Molecular Formula:
C7H8ClN3
Molecular Weight:
169.6115
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Product Description
Catalog Number:
AG01BTY3
Chemical Name:
5-chloro-3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile
CAS Number:
1339128-47-0
Molecular Formula:
C7H8ClN3
Molecular Weight:
169.6115
MDL Number:
MFCD18886879
IUPAC Name:
5-chloro-3-ethyl-1-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C7H8ClN3/c1-3-6-5(4-9)7(8)11(2)10-6/h3H2,1-2H3
InChI Key:
SCWKPOZSITYGIU-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1C#N)Cl)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.612g/mol
Monoisotopic Mass:
169.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties