Home Halogens 1H-Pyrazole,5-chloro-3-(chloromethyl)-1-methyl-(9CI)

1H-Pyrazole,5-chloro-3-(chloromethyl)-1-methyl-(9CI)

CAS No.:
524740-33-8
Catalog Number:
AG00DXNZ
Molecular Formula:
C5H6Cl2N2
Molecular Weight:
165.0205
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Product Description
Catalog Number:
AG00DXNZ
Chemical Name:
1H-Pyrazole,5-chloro-3-(chloromethyl)-1-methyl-(9CI)
CAS Number:
524740-33-8
Molecular Formula:
C5H6Cl2N2
Molecular Weight:
165.0205
MDL Number:
MFCD18381882
IUPAC Name:
5-chloro-3-(chloromethyl)-1-methylpyrazole
InChI:
InChI=1S/C5H6Cl2N2/c1-9-5(7)2-4(3-6)8-9/h2H,3H2,1H3
InChI Key:
VIYVHOHOCBLPMU-UHFFFAOYSA-N
SMILES:
ClCc1nn(c(c1)Cl)C
Properties
Complexity:
99  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.991g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.017g/mol
Monoisotopic Mass:
163.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties