Home Halogens 1H-Pyrazole, 4-chloro-1-(chloromethyl)-

1H-Pyrazole, 4-chloro-1-(chloromethyl)-

CAS No.:
80199-87-7
Catalog Number:
AG005NP5
Molecular Formula:
C4H4Cl2N2
Molecular Weight:
150.9940
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Product Description
Catalog Number:
AG005NP5
Chemical Name:
1H-Pyrazole, 4-chloro-1-(chloromethyl)-
CAS Number:
80199-87-7
Molecular Formula:
C4H4Cl2N2
Molecular Weight:
150.9940
MDL Number:
MFCD05667133
IUPAC Name:
4-chloro-1-(chloromethyl)pyrazole
InChI:
InChI=1S/C4H4Cl2N2/c5-3-8-2-4(6)1-7-8/h1-2H,3H2
InChI Key:
LXKMEOQFIAJJHC-UHFFFAOYSA-N
SMILES:
ClCn1ncc(c1)Cl
Properties
Complexity:
78.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.975g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.99g/mol
Monoisotopic Mass:
149.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties