Home Halogens 5-chloro-1-ethyl-3-methyl-4-nitro-1H-pyrazole

5-chloro-1-ethyl-3-methyl-4-nitro-1H-pyrazole

CAS No.:
13551-74-1
Catalog Number:
AG019SUS
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
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Product Description
Catalog Number:
AG019SUS
Chemical Name:
5-chloro-1-ethyl-3-methyl-4-nitro-1H-pyrazole
CAS Number:
13551-74-1
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
MDL Number:
MFCD21667720
IUPAC Name:
5-chloro-1-ethyl-3-methyl-4-nitropyrazole
InChI:
InChI=1S/C6H8ClN3O2/c1-3-9-6(7)5(10(11)12)4(2)8-9/h3H2,1-2H3
InChI Key:
JUEYFGYMSCITJF-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1Cl)[N+](=O)[O-])C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties