Home Halogens 1-(2-chloroethyl)-4-nitro-1H-pyrazole

1-(2-chloroethyl)-4-nitro-1H-pyrazole

CAS No.:
1152524-12-3
Catalog Number:
AG01A8AD
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
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Product Description
Catalog Number:
AG01A8AD
Chemical Name:
1-(2-chloroethyl)-4-nitro-1H-pyrazole
CAS Number:
1152524-12-3
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
MDL Number:
MFCD11164703
IUPAC Name:
1-(2-chloroethyl)-4-nitropyrazole
InChI:
InChI=1S/C5H6ClN3O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,1-2H2
InChI Key:
DZVUFQCSAHAJHL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)CCCl
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.572g/mol
Monoisotopic Mass:
175.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties