Home Halogens 4-chloro-1-methyl-5-nitro-1H-pyrazole

4-chloro-1-methyl-5-nitro-1H-pyrazole

CAS No.:
84547-95-5
Catalog Number:
AG01AFCP
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
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Product Description
Catalog Number:
AG01AFCP
Chemical Name:
4-chloro-1-methyl-5-nitro-1H-pyrazole
CAS Number:
84547-95-5
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
IUPAC Name:
4-chloro-1-methyl-5-nitropyrazole
InChI:
InChI=1S/C4H4ClN3O2/c1-7-4(8(9)10)3(5)2-6-7/h2H,1H3
InChI Key:
JBOUKVDJCHFJMD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)cnn1C
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.999g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.545g/mol
Monoisotopic Mass:
160.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties