Home Nitros 5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole

5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole

CAS No.:
13551-73-0
Catalog Number:
AG003MLM
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
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Product Description
Catalog Number:
AG003MLM
Chemical Name:
5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole
CAS Number:
13551-73-0
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
MDL Number:
MFCD00052534
IUPAC Name:
5-chloro-1,3-dimethyl-4-nitropyrazole
InChI:
InChI=1S/C5H6ClN3O2/c1-3-4(9(10)11)5(6)8(2)7-3/h1-2H3
InChI Key:
WBMBDRIOUHCVAS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)nn(c1Cl)C
NSC Number:
130145
Properties
Complexity:
172  
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:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties