Home Halogens 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole

5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole

CAS No.:
29938-65-6
Catalog Number:
AG019ZYK
Molecular Formula:
C7H11ClN2
Molecular Weight:
158.6286
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Product Description
Catalog Number:
AG019ZYK
Chemical Name:
5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole
CAS Number:
29938-65-6
Molecular Formula:
C7H11ClN2
Molecular Weight:
158.6286
MDL Number:
MFCD05860084
IUPAC Name:
5-chloro-1-methyl-3-propan-2-ylpyrazole
InChI:
InChI=1S/C7H11ClN2/c1-5(2)6-4-7(8)10(3)9-6/h4-5H,1-3H3
InChI Key:
XUXTVZZVQCDOKQ-UHFFFAOYSA-N
SMILES:
CC(c1nn(c(c1)Cl)C)C
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.061g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.629g/mol
Monoisotopic Mass:
158.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties